7,7,7-trifluoro-5-(trifluoromethyl)heptan-1-ol

C8H12F6O — CID 122220978

IUPAC7,7,7-trifluoro-5-(trifluoromethyl)heptan-1-ol
SMILESOCCCCC(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O/c9-7(10,11)5-6(8(12,13)14)3-1-2-4-15/h6,15H,1-5H2
InChIKeyHAYMPPYKRSVEHS-UHFFFAOYSA-N
MW238.17 g/mol
LogP3.28
Rot. Bonds5

About 7,7,7-trifluoro-5-(trifluoromethyl)heptan-1-ol

7,7,7-trifluoro-5-(trifluoromethyl)heptan-1-ol (PubChem CID 122220978) has the molecular formula C8H12F6O and a molecular weight of 238.17 g/mol. Its IUPAC name is 7,7,7-trifluoro-5-(trifluoromethyl)heptan-1-ol.

Molecular Properties

Compound Name7,7,7-trifluoro-5-(trifluoromethyl)heptan-1-ol
PubChem CID122220978
Molecular FormulaC8H12F6O
Molecular Weight238.17 g/mol
Exact Mass238.08
IUPAC Name7,7,7-trifluoro-5-(trifluoromethyl)heptan-1-ol
SMILESOCCCCC(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O/c9-7(10,11)5-6(8(12,13)14)3-1-2-4-15/h6,15H,1-5H2
InChIKeyHAYMPPYKRSVEHS-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-5-(trifluoromethyl)heptan-1-ol?
The IUPAC name of 7,7,7-trifluoro-5-(trifluoromethyl)heptan-1-ol (CID 122220978) is 7,7,7-trifluoro-5-(trifluoromethyl)heptan-1-ol.
What is the SMILES notation for 7,7,7-trifluoro-5-(trifluoromethyl)heptan-1-ol?
The canonical SMILES for 7,7,7-trifluoro-5-(trifluoromethyl)heptan-1-ol is OCCCCC(CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-5-(trifluoromethyl)heptan-1-ol?
The InChIKey is HAYMPPYKRSVEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O/c9-7(10,11)5-6(8(12,13)14)3-1-2-4-15/h6,15H,1-5H2.
What are the key properties of 7,7,7-trifluoro-5-(trifluoromethyl)heptan-1-ol?
7,7,7-trifluoro-5-(trifluoromethyl)heptan-1-ol has a molecular weight of 238.17 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-5-(trifluoromethyl)heptan-1-ol is sourced from PubChem (CID 122220978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).