5,5,5-trifluoro-3-methylpentan-1-ol

C6H11F3O — CID 23273440

IUPAC5,5,5-trifluoro-3-methylpentan-1-ol
SMILESCC(CCO)CC(F)(F)F
InChIInChI=1S/C6H11F3O/c1-5(2-3-10)4-6(7,8)9/h5,10H,2-4H2,1H3
InChIKeyUYHZFYCTBSLVOW-UHFFFAOYSA-N
MW156.15 g/mol
LogP1.96
Rot. Bonds3

About 5,5,5-trifluoro-3-methylpentan-1-ol

5,5,5-trifluoro-3-methylpentan-1-ol (PubChem CID 23273440) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is 5,5,5-trifluoro-3-methylpentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-3-methylpentan-1-ol
PubChem CID23273440
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name5,5,5-trifluoro-3-methylpentan-1-ol
SMILESCC(CCO)CC(F)(F)F
InChIInChI=1S/C6H11F3O/c1-5(2-3-10)4-6(7,8)9/h5,10H,2-4H2,1H3
InChIKeyUYHZFYCTBSLVOW-UHFFFAOYSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-1-pentanol
CID 11508
(3,3-Difluorocyclobutyl)methanol
CID 45480377
(S)-(+)-3-Methyl-1-pentanol
CID 641003
3,3-Difluoropentan-1-ol
CID 53682984
4,4-Difluoropentan-1-ol
CID 54148084
4,4,4-Trifluoro-3-methylbutan-1-ol
CID 274355
4,4,4-Trifluoro-2-methylbutan-1-ol
CID 2775532
rac-((1R,2R)-2-(difluoromethyl)cyclopropyl)methanol
CID 162341784
2,2-Difluoropentan-1-ol
CID 23381520
(r)-3-Methyl-pentan-1-ol
CID 6999792
3,3,4,5,5,5-Hexafluoro-2-methylpentan-1-ol
CID 115661
2,2-Difluoro-3-methylbutan-1-ol
CID 57675516

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-3-methylpentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-3-methylpentan-1-ol (CID 23273440) is 5,5,5-trifluoro-3-methylpentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-3-methylpentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-3-methylpentan-1-ol is CC(CCO)CC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-3-methylpentan-1-ol?
The InChIKey is UYHZFYCTBSLVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O/c1-5(2-3-10)4-6(7,8)9/h5,10H,2-4H2,1H3.
What are the key properties of 5,5,5-trifluoro-3-methylpentan-1-ol?
5,5,5-trifluoro-3-methylpentan-1-ol has a molecular weight of 156.15 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-3-methylpentan-1-ol is sourced from PubChem (CID 23273440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).