1-cyclobutyl-5,5,5-trifluoropentan-1-ol

C9H15F3O — CID 115515676

IUPAC1-cyclobutyl-5,5,5-trifluoropentan-1-ol
SMILESOC(CCCC(F)(F)F)C1CCC1
InChIInChI=1S/C9H15F3O/c10-9(11,12)6-2-5-8(13)7-3-1-4-7/h7-8,13H,1-6H2
InChIKeyITXVQBUQBFJKRR-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.88
Rot. Bonds4

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

1-cyclobutyl-5,5,5-trifluoropentan-1-ol (PubChem CID 115515676) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-cyclobutyl-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name1-cyclobutyl-5,5,5-trifluoropentan-1-ol
PubChem CID115515676
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name1-cyclobutyl-5,5,5-trifluoropentan-1-ol
SMILESOC(CCCC(F)(F)F)C1CCC1
InChIInChI=1S/C9H15F3O/c10-9(11,12)6-2-5-8(13)7-3-1-4-7/h7-8,13H,1-6H2
InChIKeyITXVQBUQBFJKRR-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 115515680
1-cyclopentyl-3,3,3-trifluoropropan-1-ol
CID 61392890
1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol
CID 116534784
1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanol
CID 104753766
1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 63354833
(1-cyclopentyl-5,5,5-trifluoropentyl)hydrazine
CID 105204331
1-cyclohexylheptane-1,7-diol
CID 67923944
1-cyclohexyldodecane-1,12-diol
CID 11161921
(1S)-7-bromo-1-cyclohexylheptan-1-ol
CID 10588552
1-cyclooctylundecan-1-ol
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CID 116712667

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-5,5,5-trifluoropentan-1-ol?
The IUPAC name of 1-cyclobutyl-5,5,5-trifluoropentan-1-ol (CID 115515676) is 1-cyclobutyl-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 1-cyclobutyl-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 1-cyclobutyl-5,5,5-trifluoropentan-1-ol is OC(CCCC(F)(F)F)C1CCC1.
What is the InChIKey of 1-cyclobutyl-5,5,5-trifluoropentan-1-ol?
The InChIKey is ITXVQBUQBFJKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c10-9(11,12)6-2-5-8(13)7-3-1-4-7/h7-8,13H,1-6H2.
What are the key properties of 1-cyclobutyl-5,5,5-trifluoropentan-1-ol?
1-cyclobutyl-5,5,5-trifluoropentan-1-ol has a molecular weight of 196.21 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 115515676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).