1,1,1,7,7-pentafluoroheptadecane

C17H31F5 — CID 54180623

IUPAC1,1,1,7,7-pentafluoroheptadecane
SMILESCCCCCCCCCCC(F)(F)CCCCCC(F)(F)F
InChIInChI=1S/C17H31F5/c1-2-3-4-5-6-7-8-10-13-16(18,19)14-11-9-12-15-17(20,21)22/h2-15H2,1H3
InChIKeyMHWIPMHSVKDFDK-UHFFFAOYSA-N
MW330.43 g/mol
LogP7.67
Rot. Bonds14

About 1,1,1,7,7-pentafluoroheptadecane

1,1,1,7,7-pentafluoroheptadecane (PubChem CID 54180623) has the molecular formula C17H31F5 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1,1,1,7,7-pentafluoroheptadecane.

Molecular Properties

Compound Name1,1,1,7,7-pentafluoroheptadecane
PubChem CID54180623
Molecular FormulaC17H31F5
Molecular Weight330.43 g/mol
Exact Mass330.23
IUPAC Name1,1,1,7,7-pentafluoroheptadecane
SMILESCCCCCCCCCCC(F)(F)CCCCCC(F)(F)F
InChIInChI=1S/C17H31F5/c1-2-3-4-5-6-7-8-10-13-16(18,19)14-11-9-12-15-17(20,21)22/h2-15H2,1H3
InChIKeyMHWIPMHSVKDFDK-UHFFFAOYSA-N
XLogP7.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluorohexadecane
CID 15685316
5,5-difluorononane
CID 21410163
1,1,1-trifluorooctane;trimethoxysilane
CID 175508235
3,3-difluorooctane
CID 54258569
iron(3+);1,1,1-trifluoropentane
CID 161198772
2,2-difluorododecan-1-ol
CID 86222269
2,2-difluorodecan-1-amine
CID 12635530
6,6-difluorododecanal
CID 143801183
17-bromo-1,1,1,7,7-pentafluoroheptadecane
CID 20549339
1,1,1-trifluoro-11,11-dipropyltetradecane
CID 160800982
6,6-difluorooctadecan-2-amine
CID 174731685
11,11-difluorooctadecan-2-amine
CID 150665400

Frequently Asked Questions

What is the IUPAC name of 1,1,1,7,7-pentafluoroheptadecane?
The IUPAC name of 1,1,1,7,7-pentafluoroheptadecane (CID 54180623) is 1,1,1,7,7-pentafluoroheptadecane.
What is the SMILES notation for 1,1,1,7,7-pentafluoroheptadecane?
The canonical SMILES for 1,1,1,7,7-pentafluoroheptadecane is CCCCCCCCCCC(F)(F)CCCCCC(F)(F)F.
What is the InChIKey of 1,1,1,7,7-pentafluoroheptadecane?
The InChIKey is MHWIPMHSVKDFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F5/c1-2-3-4-5-6-7-8-10-13-16(18,19)14-11-9-12-15-17(20,21)22/h2-15H2,1H3.
What are the key properties of 1,1,1,7,7-pentafluoroheptadecane?
1,1,1,7,7-pentafluoroheptadecane has a molecular weight of 330.43 g/mol, XLogP of 7.67, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,7,7-pentafluoroheptadecane is sourced from PubChem (CID 54180623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).