1,1,1,2,2-pentafluoro-6-methylheptane

C8H13F5 — CID 20579538

IUPAC1,1,1,2,2-pentafluoro-6-methylheptane
SMILESCC(C)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F5/c1-6(2)4-3-5-7(9,10)8(11,12)13/h6H,3-5H2,1-2H3
InChIKeyBQDGTHSZRPFSAV-UHFFFAOYSA-N
MW204.18 g/mol
LogP4.01
Rot. Bonds4

About 1,1,1,2,2-pentafluoro-6-methylheptane

1,1,1,2,2-pentafluoro-6-methylheptane (PubChem CID 20579538) has the molecular formula C8H13F5 and a molecular weight of 204.18 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-6-methylheptane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-6-methylheptane
PubChem CID20579538
Molecular FormulaC8H13F5
Molecular Weight204.18 g/mol
Exact Mass204.09
IUPAC Name1,1,1,2,2-pentafluoro-6-methylheptane
SMILESCC(C)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F5/c1-6(2)4-3-5-7(9,10)8(11,12)13/h6H,3-5H2,1-2H3
InChIKeyBQDGTHSZRPFSAV-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6,6-difluoro-2,10-dimethylundecane
CID 169289858
2,2-difluoro-N,6-dimethylheptan-1-amine
CID 88588168
12,12,13,13,13-pentafluoro-8-methyltridec-1-ene
CID 20579541
6-fluoro-2,6-dimethylundecane
CID 155274662
1,1,1,2,2-pentafluoro-6-[1-(5,5,6,6,6-pentafluorohexoxy)ethoxy]hexane
CID 164552375
ethane;1,1,1,2,2-pentafluorohexane
CID 167481670
(2R)-1,1,1-trifluoro-7-methyloctan-2-ol
CID 18396357
2,2-difluoro-6-methyl-1-propan-2-yloxyheptane
CID 58275563
ethane;1,1,1-trifluoro-4-methylpentane
CID 142517870
9-methyl-1-(4,4,5,5-tetrafluorohexylsulfanyl)decane
CID 159925774
1,1,1,2,2-pentafluorononadecane
CID 98452406
2-methylhexane;1,1,1-trifluoroethane
CID 157031744

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-6-methylheptane?
The IUPAC name of 1,1,1,2,2-pentafluoro-6-methylheptane (CID 20579538) is 1,1,1,2,2-pentafluoro-6-methylheptane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-6-methylheptane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-6-methylheptane is CC(C)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-6-methylheptane?
The InChIKey is BQDGTHSZRPFSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F5/c1-6(2)4-3-5-7(9,10)8(11,12)13/h6H,3-5H2,1-2H3.
What are the key properties of 1,1,1,2,2-pentafluoro-6-methylheptane?
1,1,1,2,2-pentafluoro-6-methylheptane has a molecular weight of 204.18 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-6-methylheptane is sourced from PubChem (CID 20579538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).