4-hydroxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide

C10H16F3NO2 — CID 112527792

IUPAC4-hydroxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
SMILESO=C(NCCC(F)(F)F)C1CCC(O)CC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)5-6-14-9(16)7-1-3-8(15)4-2-7/h7-8,15H,1-6H2,(H,14,16)
InChIKeyYMJFUEQJSVQNHZ-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.61
Rot. Bonds3

About 4-hydroxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide

4-hydroxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide (PubChem CID 112527792) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 4-hydroxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
PubChem CID112527792
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name4-hydroxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
SMILESO=C(NCCC(F)(F)F)C1CCC(O)CC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)5-6-14-9(16)7-1-3-8(15)4-2-7/h7-8,15H,1-6H2,(H,14,16)
InChIKeyYMJFUEQJSVQNHZ-UHFFFAOYSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoroethyl)-3-hydroxycyclohexane-1-carboxamide
CID 126795290
N-[(2S)-2-(dimethylamino)pentyl]-4-hydroxycyclohexane-1-carboxamide
CID 129617577
cis-4-hydroxy-N-{[1-(methoxymethyl)cyclobutyl]methyl}cyclohexanecarboxamide
CID 129624298
4-hydroxy-N-(methoxymethyl)-1-(trifluoromethyl)cyclohexane-1-carboxamide
CID 67072863
3-fluoro-N-heptan-4-yl-4-methoxycyclohexane-1-carboxamide
CID 143043741
4,4,4-trifluoro-N-[(2-hydroxycyclohexyl)methyl]butanamide
CID 65711374
N-[(2-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79026362
5-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]pentanamide
CID 79199055
5-hydroxy-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 79199848
5-hydroxy-N-[2-(trifluoromethyl)cyclohexyl]pentanamide
CID 79199849
N-[(2-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929435
4,4-difluoro-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide
CID 81932488

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide (CID 112527792) is 4-hydroxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide is O=C(NCCC(F)(F)F)C1CCC(O)CC1.
What is the InChIKey of 4-hydroxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The InChIKey is YMJFUEQJSVQNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)5-6-14-9(16)7-1-3-8(15)4-2-7/h7-8,15H,1-6H2,(H,14,16).
What are the key properties of 4-hydroxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
4-hydroxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide has a molecular weight of 239.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 112527792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).