1,1,1,3,3,5,5-heptafluoroheptane;1,1,1,3,3,5,5-heptafluorohexane;1,1,1,3,3-pentafluorobutane;1,1,1,2,2-pentafluoropropane;1,1,1-trifluoroethane;1,1,1-trifluoropropane

C25H32F30 — CID 160964916

IUPAC1,1,1,3,3,5,5-heptafluoroheptane;1,1,1,3,3,5,5-heptafluorohexane;1,1,1,3,3-pentafluorobutane;1,1,1,2,2-pentafluoropropane;1,1,1-trifluoroethane;1,1,1-trifluoropropane
SMILESCC(F)(F)C(F)(F)F.CC(F)(F)CC(F)(F)CC(F)(F)F.CC(F)(F)CC(F)(F)F.CC(F)(F)F.CCC(F)(F)CC(F)(F)CC(F)(F)F.CCC(F)(F)F
InChIInChI=1S/C7H9F7.C6H7F7.C4H5F5.C3H3F5.C3H5F3.C2H3F3/c1-2-5(8,9)3-6(10,11)4-7(12,13)14;1-4(7,8)2-5(9,10)3-6(11,12)13;1-3(5,6)2-4(7,8)9;1-2(4,5)3(6,7)8;1-2-3(4,5)6;1-2(3,4)5/h2-4H2,1H3;2-3H2,1H3;2H2,1H3;1H3;2H2,1H3;1H3
InChIKeySXMLDJMMHZCXTH-UHFFFAOYSA-N
MW902.47 g/mol
LogP15.95
Rot. Bonds8

About 1,1,1,3,3,5,5-heptafluoroheptane;1,1,1,3,3,5,5-heptafluorohexane;1,1,1,3,3-pentafluorobutane;1,1,1,2,2-pentafluoropropane;1,1,1-trifluoroethane;1,1,1-trifluoropropane

1,1,1,3,3,5,5-heptafluoroheptane;1,1,1,3,3,5,5-heptafluorohexane;1,1,1,3,3-pentafluorobutane;1,1,1,2,2-pentafluoropropane;1,1,1-trifluoroethane;1,1,1-trifluoropropane (PubChem CID 160964916) has the molecular formula C25H32F30 and a molecular weight of 902.47 g/mol. Its IUPAC name is 1,1,1,3,3,5,5-heptafluoroheptane;1,1,1,3,3,5,5-heptafluorohexane;1,1,1,3,3-pentafluorobutane;1,1,1,2,2-pentafluoropropane;1,1,1-trifluoroethane;1,1,1-trifluoropropane.

Molecular Properties

Compound Name1,1,1,3,3,5,5-heptafluoroheptane;1,1,1,3,3,5,5-heptafluorohexane;1,1,1,3,3-pentafluorobutane;1,1,1,2,2-pentafluoropropane;1,1,1-trifluoroethane;1,1,1-trifluoropropane
PubChem CID160964916
Molecular FormulaC25H32F30
Molecular Weight902.47 g/mol
Exact Mass902.20
IUPAC Name1,1,1,3,3,5,5-heptafluoroheptane;1,1,1,3,3,5,5-heptafluorohexane;1,1,1,3,3-pentafluorobutane;1,1,1,2,2-pentafluoropropane;1,1,1-trifluoroethane;1,1,1-trifluoropropane
SMILESCC(F)(F)C(F)(F)F.CC(F)(F)CC(F)(F)CC(F)(F)F.CC(F)(F)CC(F)(F)F.CC(F)(F)F.CCC(F)(F)CC(F)(F)CC(F)(F)F.CCC(F)(F)F
InChIInChI=1S/C7H9F7.C6H7F7.C4H5F5.C3H3F5.C3H5F3.C2H3F3/c1-2-5(8,9)3-6(10,11)4-7(12,13)14;1-4(7,8)2-5(9,10)3-6(11,12)13;1-3(5,6)2-4(7,8)9;1-2(4,5)3(6,7)8;1-2-3(4,5)6;1-2(3,4)5/h2-4H2,1H3;2-3H2,1H3;2H2,1H3;1H3;2H2,1H3;1H3
InChIKeySXMLDJMMHZCXTH-UHFFFAOYSA-N
XLogP15.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.47
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,1,3,3,5,5-heptafluoroheptane;1,1,1,3,3,5,5-heptafluorohexane;1,1,1,3,3-pentafluorobutane;1,1,1,2,2-pentafluoropropane;1,1,1-trifluoroethane;1,1,1-trifluoropropane with MolForge

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Related Compounds

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fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,2,2,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,1,1,2-tetrafluoro-2-methylbutane;1,2,2-trifluoropropane
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CID 21014884
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2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane
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1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane
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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,5,5-heptafluoroheptane;1,1,1,3,3,5,5-heptafluorohexane;1,1,1,3,3-pentafluorobutane;1,1,1,2,2-pentafluoropropane;1,1,1-trifluoroethane;1,1,1-trifluoropropane?
The IUPAC name of 1,1,1,3,3,5,5-heptafluoroheptane;1,1,1,3,3,5,5-heptafluorohexane;1,1,1,3,3-pentafluorobutane;1,1,1,2,2-pentafluoropropane;1,1,1-trifluoroethane;1,1,1-trifluoropropane (CID 160964916) is 1,1,1,3,3,5,5-heptafluoroheptane;1,1,1,3,3,5,5-heptafluorohexane;1,1,1,3,3-pentafluorobutane;1,1,1,2,2-pentafluoropropane;1,1,1-trifluoroethane;1,1,1-trifluoropropane.
What is the SMILES notation for 1,1,1,3,3,5,5-heptafluoroheptane;1,1,1,3,3,5,5-heptafluorohexane;1,1,1,3,3-pentafluorobutane;1,1,1,2,2-pentafluoropropane;1,1,1-trifluoroethane;1,1,1-trifluoropropane?
The canonical SMILES for 1,1,1,3,3,5,5-heptafluoroheptane;1,1,1,3,3,5,5-heptafluorohexane;1,1,1,3,3-pentafluorobutane;1,1,1,2,2-pentafluoropropane;1,1,1-trifluoroethane;1,1,1-trifluoropropane is CC(F)(F)C(F)(F)F.CC(F)(F)CC(F)(F)CC(F)(F)F.CC(F)(F)CC(F)(F)F.CC(F)(F)F.CCC(F)(F)CC(F)(F)CC(F)(F)F.CCC(F)(F)F.
What is the InChIKey of 1,1,1,3,3,5,5-heptafluoroheptane;1,1,1,3,3,5,5-heptafluorohexane;1,1,1,3,3-pentafluorobutane;1,1,1,2,2-pentafluoropropane;1,1,1-trifluoroethane;1,1,1-trifluoropropane?
The InChIKey is SXMLDJMMHZCXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F7.C6H7F7.C4H5F5.C3H3F5.C3H5F3.C2H3F3/c1-2-5(8,9)3-6(10,11)4-7(12,13)14;1-4(7,8)2-5(9,10)3-6(11,12)13;1-3(5,6)2-4(7,8)9;1-2(4,5)3(6,7)8;1-2-3(4,5)6;1-2(3,4)5/h2-4H2,1H3;2-3H2,1H3;2H2,1H3;1H3;2H2,1H3;1H3.
What are the key properties of 1,1,1,3,3,5,5-heptafluoroheptane;1,1,1,3,3,5,5-heptafluorohexane;1,1,1,3,3-pentafluorobutane;1,1,1,2,2-pentafluoropropane;1,1,1-trifluoroethane;1,1,1-trifluoropropane?
1,1,1,3,3,5,5-heptafluoroheptane;1,1,1,3,3,5,5-heptafluorohexane;1,1,1,3,3-pentafluorobutane;1,1,1,2,2-pentafluoropropane;1,1,1-trifluoroethane;1,1,1-trifluoropropane has a molecular weight of 902.47 g/mol, XLogP of 15.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,5,5-heptafluoroheptane;1,1,1,3,3,5,5-heptafluorohexane;1,1,1,3,3-pentafluorobutane;1,1,1,2,2-pentafluoropropane;1,1,1-trifluoroethane;1,1,1-trifluoropropane is sourced from PubChem (CID 160964916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).