1,1,1,2,2,3,3-heptafluoroheptane

C7H9F7 — CID 19762029

IUPAC1,1,1,2,2,3,3-heptafluoroheptane
SMILESCCCCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F7/c1-2-3-4-5(8,9)6(10,11)7(12,13)14/h2-4H2,1H3
InChIKeyYHNUMBKYLJWTIO-UHFFFAOYSA-N
MW226.13 g/mol
LogP4.01
Rot. Bonds4

About 1,1,1,2,2,3,3-heptafluoroheptane

1,1,1,2,2,3,3-heptafluoroheptane (PubChem CID 19762029) has the molecular formula C7H9F7 and a molecular weight of 226.13 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoroheptane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoroheptane
PubChem CID19762029
Molecular FormulaC7H9F7
Molecular Weight226.13 g/mol
Exact Mass226.06
IUPAC Name1,1,1,2,2,3,3-heptafluoroheptane
SMILESCCCCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F7/c1-2-3-4-5(8,9)6(10,11)7(12,13)14/h2-4H2,1H3
InChIKeyYHNUMBKYLJWTIO-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.13
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

Perfluorohexyloctane
CID 10477896
1H,1H,1H,2H,2H-Nonafluorohexane
CID 11230396
Perfluorobutylpentane
CID 22002932
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorododecane
CID 3028220
1,1,1,2,2,3,3,4,4-Nonafluorotridecane
CID 10807503
1,1,1,2,2,3,3,4,4-Nonafluorododecane
CID 10830385
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorotridecane
CID 20027940
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorodecane
CID 21278186
1-(Perfluoroethyl)decane
CID 21678910
1,1,1,2,2,3,3-Heptafluorododecane
CID 21678911
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorododecane
CID 22002837
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorotetradecane
CID 22002883

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoroheptane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoroheptane (CID 19762029) is 1,1,1,2,2,3,3-heptafluoroheptane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoroheptane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoroheptane is CCCCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoroheptane?
The InChIKey is YHNUMBKYLJWTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F7/c1-2-3-4-5(8,9)6(10,11)7(12,13)14/h2-4H2,1H3.
What are the key properties of 1,1,1,2,2,3,3-heptafluoroheptane?
1,1,1,2,2,3,3-heptafluoroheptane has a molecular weight of 226.13 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 1,1,1,2,2,3,3-heptafluoroheptane is sourced from PubChem (CID 19762029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).