5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol

C14H25F3O — CID 113326892

IUPAC5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol
SMILESCC(C)C1CCC(C(O)CCCC(F)(F)F)CC1
InChIInChI=1S/C14H25F3O/c1-10(2)11-5-7-12(8-6-11)13(18)4-3-9-14(15,16)17/h10-13,18H,3-9H2,1-2H3
InChIKeyAGNMUHXAYBDSHE-UHFFFAOYSA-N
MW266.35 g/mol
LogP4.54
Rot. Bonds5

About 5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol

5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol (PubChem CID 113326892) has the molecular formula C14H25F3O and a molecular weight of 266.35 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol
PubChem CID113326892
Molecular FormulaC14H25F3O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol
SMILESCC(C)C1CCC(C(O)CCCC(F)(F)F)CC1
InChIInChI=1S/C14H25F3O/c1-10(2)11-5-7-12(8-6-11)13(18)4-3-9-14(15,16)17/h10-13,18H,3-9H2,1-2H3
InChIKeyAGNMUHXAYBDSHE-UHFFFAOYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-5,5,5-trifluoropentan-1-ol
CID 115515676
1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol
CID 116534784
5,5,5-trifluoro-1-piperidin-3-ylpentan-1-ol
CID 115515680
1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 63354833
1-cyclopropylpentan-1-ol
CID 551238
1-cyclopropyl-6,6,6-trifluoro-1-methoxyhexan-2-ol
CID 116712667
1-cyclopropyl-4,4-dimethylpentan-1-ol
CID 62606898
1-(4-propan-2-ylcycloheptyl)butan-1-ol
CID 83050929
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropyltridecan-1-ol
CID 63410999
1-(4-propan-2-ylcyclohexyl)pent-4-yn-1-ol
CID 65423161

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol (CID 113326892) is 5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol is CC(C)C1CCC(C(O)CCCC(F)(F)F)CC1.
What is the InChIKey of 5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol?
The InChIKey is AGNMUHXAYBDSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3O/c1-10(2)11-5-7-12(8-6-11)13(18)4-3-9-14(15,16)17/h10-13,18H,3-9H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol?
5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol has a molecular weight of 266.35 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol is sourced from PubChem (CID 113326892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).