1-(4,4,4-trifluoro-1-hydroxybutyl)cyclopentan-1-ol

C9H15F3O2 — CID 103448224

IUPAC1-(4,4,4-trifluoro-1-hydroxybutyl)cyclopentan-1-ol
SMILESOC(CCC(F)(F)F)C1(O)CCCC1
InChIInChI=1S/C9H15F3O2/c10-9(11,12)6-3-7(13)8(14)4-1-2-5-8/h7,13-14H,1-6H2
InChIKeyQDPDHIQWPMJFMI-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.99
Rot. Bonds3

About 1-(4,4,4-trifluoro-1-hydroxybutyl)cyclopentan-1-ol

1-(4,4,4-trifluoro-1-hydroxybutyl)cyclopentan-1-ol (PubChem CID 103448224) has the molecular formula C9H15F3O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-(4,4,4-trifluoro-1-hydroxybutyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(4,4,4-trifluoro-1-hydroxybutyl)cyclopentan-1-ol
PubChem CID103448224
Molecular FormulaC9H15F3O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name1-(4,4,4-trifluoro-1-hydroxybutyl)cyclopentan-1-ol
SMILESOC(CCC(F)(F)F)C1(O)CCCC1
InChIInChI=1S/C9H15F3O2/c10-9(11,12)6-3-7(13)8(14)4-1-2-5-8/h7,13-14H,1-6H2
InChIKeyQDPDHIQWPMJFMI-UHFFFAOYSA-N
XLogP1.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethylcyclopentyl)-4,4,4-trifluorobutan-1-ol
CID 115808726
4,4,4-trifluoro-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-ol
CID 79057691
1-(3-cyclopropyl-1-hydroxypropyl)cycloheptan-1-ol
CID 103452170
1-(1-hydroxy-4-methylpentyl)cyclohexan-1-ol
CID 103451630
4,4,4-trifluoro-1-(1-methoxycyclobutyl)butan-1-ol
CID 116710452
1-(1-hydroxy-3-methoxypropyl)cyclohexan-1-ol
CID 69080756
1-(1-hydroxytridecyl)cyclohexan-1-ol
CID 103451628
1-(1-hydroxydodecyl)cyclohexan-1-ol
CID 23056048
1-(1-hydroxy-3-phenylpropyl)cyclopentan-1-ol
CID 103448481
1-(2-cyclopropyl-1-hydroxyethyl)cyclopentan-1-ol
CID 103448208
1-(1-hydroxyoct-7-enyl)cycloheptan-1-ol
CID 107008754
1-(2-cyclopentyl-1-hydroxyethyl)cyclopentan-1-ol
CID 103448255

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluoro-1-hydroxybutyl)cyclopentan-1-ol?
The IUPAC name of 1-(4,4,4-trifluoro-1-hydroxybutyl)cyclopentan-1-ol (CID 103448224) is 1-(4,4,4-trifluoro-1-hydroxybutyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(4,4,4-trifluoro-1-hydroxybutyl)cyclopentan-1-ol?
The canonical SMILES for 1-(4,4,4-trifluoro-1-hydroxybutyl)cyclopentan-1-ol is OC(CCC(F)(F)F)C1(O)CCCC1.
What is the InChIKey of 1-(4,4,4-trifluoro-1-hydroxybutyl)cyclopentan-1-ol?
The InChIKey is QDPDHIQWPMJFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O2/c10-9(11,12)6-3-7(13)8(14)4-1-2-5-8/h7,13-14H,1-6H2.
What are the key properties of 1-(4,4,4-trifluoro-1-hydroxybutyl)cyclopentan-1-ol?
1-(4,4,4-trifluoro-1-hydroxybutyl)cyclopentan-1-ol has a molecular weight of 212.21 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluoro-1-hydroxybutyl)cyclopentan-1-ol is sourced from PubChem (CID 103448224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).