5,5,5-trifluoropentan-1-ol

C5H9F3O — CID 2769672

IUPAC5,5,5-trifluoropentan-1-ol
SMILESOCCCCC(F)(F)F
InChIInChI=1S/C5H9F3O/c6-5(7,8)3-1-2-4-9/h9H,1-4H2
InChIKeyWNHMIKSCDKSJDI-UHFFFAOYSA-N
MW142.12 g/mol
LogP1.71
Rot. Bonds3

About 5,5,5-trifluoropentan-1-ol

5,5,5-trifluoropentan-1-ol (PubChem CID 2769672) has the molecular formula C5H9F3O and a molecular weight of 142.12 g/mol. Its IUPAC name is 5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoropentan-1-ol
PubChem CID2769672
Molecular FormulaC5H9F3O
Molecular Weight142.12 g/mol
Exact Mass142.06
IUPAC Name5,5,5-trifluoropentan-1-ol
SMILESOCCCCC(F)(F)F
InChIInChI=1S/C5H9F3O/c6-5(7,8)3-1-2-4-9/h9H,1-4H2
InChIKeyWNHMIKSCDKSJDI-UHFFFAOYSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 51.71
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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Related Compounds

2,2,3,3,4,4,5,5-Octafluoro-1-pentanol
CID 9641
Hexafluoroamylene glycol
CID 67831
4,4,4-Trifluorobutan-1-ol
CID 136307
1-Hexanol, 3,3,4,4,5,5,6,6,6-nonafluoro-
CID 74883
4,4,5,5,5-Pentafluoropentan-1-ol
CID 547967
3,3,4,4,5,5,5-Heptafluoropentan-1-ol
CID 2782534
1-Pentanol, 5-fluoro-
CID 120291
3-(Perfluoropropyl)propanol
CID 2774911
1H,1H-Nonafluoropentan-1-ol
CID 2782394
2,2-Difluorobutan-1-ol
CID 21880591
3,3-Difluoropentan-1-ol
CID 53682984
3,3-Difluorobutan-1-ol
CID 53831960

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoropentan-1-ol?
The IUPAC name of 5,5,5-trifluoropentan-1-ol (CID 2769672) is 5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 5,5,5-trifluoropentan-1-ol is OCCCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoropentan-1-ol?
The InChIKey is WNHMIKSCDKSJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O/c6-5(7,8)3-1-2-4-9/h9H,1-4H2.
What are the key properties of 5,5,5-trifluoropentan-1-ol?
5,5,5-trifluoropentan-1-ol has a molecular weight of 142.12 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 2769672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).