4-hydroxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C9H14F3NO2 — CID 112527725

IUPAC4-hydroxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCC(O)CC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)5-13-8(15)6-1-3-7(14)4-2-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyMUUGSAZHKYHYRY-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.22
Rot. Bonds2

About 4-hydroxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

4-hydroxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 112527725) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 4-hydroxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID112527725
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name4-hydroxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCC(O)CC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)5-13-8(15)6-1-3-7(14)4-2-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyMUUGSAZHKYHYRY-UHFFFAOYSA-N
XLogP1.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoroethyl)-3-hydroxycyclohexane-1-carboxamide
CID 126795290
3-fluoro-N-heptan-4-yl-4-methoxycyclohexane-1-carboxamide
CID 143043741
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
4,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 81932685
N-[(2-hydroxycyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932866
4,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 81932882
4,4-difluoro-N-[(2-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide
CID 81932883
N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103279730
4,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 103859898
N-(3-ethyl-2-hydroxypentyl)-4,4-difluorocyclohexane-1-carboxamide
CID 103860209

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 112527725) is 4-hydroxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is O=C(NCC(F)(F)F)C1CCC(O)CC1.
What is the InChIKey of 4-hydroxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is MUUGSAZHKYHYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)5-13-8(15)6-1-3-7(14)4-2-6/h6-7,14H,1-5H2,(H,13,15).
What are the key properties of 4-hydroxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
4-hydroxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 225.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 112527725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).