[(1R)-2-oxo-1-[4-(trifluoromethyl)phenyl]cyclohexyl] carbamate

C14H14F3NO3 — CID 175467808

IUPAC[(1R)-2-oxo-1-[4-(trifluoromethyl)phenyl]cyclohexyl] carbamate
SMILESNC(=O)O[C@@]1(c2ccc(C(F)(F)F)cc2)CCCCC1=O
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)10-6-4-9(5-7-10)13(21-12(18)20)8-2-1-3-11(13)19/h4-7H,1-3,8H2,(H2,18,20)/t13-/m1/s1
InChIKeyLOODXCZWFOCMJA-CYBMUJFWSA-N
MW301.26 g/mol
LogP3.14
Rot. Bonds2

About [(1R)-2-oxo-1-[4-(trifluoromethyl)phenyl]cyclohexyl] carbamate

[(1R)-2-oxo-1-[4-(trifluoromethyl)phenyl]cyclohexyl] carbamate (PubChem CID 175467808) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is [(1R)-2-oxo-1-[4-(trifluoromethyl)phenyl]cyclohexyl] carbamate.

Molecular Properties

Compound Name[(1R)-2-oxo-1-[4-(trifluoromethyl)phenyl]cyclohexyl] carbamate
PubChem CID175467808
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name[(1R)-2-oxo-1-[4-(trifluoromethyl)phenyl]cyclohexyl] carbamate
SMILESNC(=O)O[C@@]1(c2ccc(C(F)(F)F)cc2)CCCCC1=O
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)10-6-4-9(5-7-10)13(21-12(18)20)8-2-1-3-11(13)19/h4-7H,1-3,8H2,(H2,18,20)/t13-/m1/s1
InChIKeyLOODXCZWFOCMJA-CYBMUJFWSA-N
XLogP3.14
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-oxocyclohexyl] carbamate
CID 175467790
(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 156803398
2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 139573660
2-methyl-2-[4-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 135004378
2-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]cyclooctan-1-one
CID 86210946
N-[1-(4-methoxyphenyl)cyclopentyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52845959
cis-(2S,6S)-2-amino-6-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 139559053
2,2-dimethyl-N-[(E)-3-[(1S)-2-oxo-1-[4-(trifluoromethyl)phenyl]cyclohexyl]prop-1-enyl]-N-phenylpropanamide
CID 132516377
cis-(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid
CID 68673384
2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 79834999
1-carbamothioyl-N-[4-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 80592600
3-[1-[4-(trifluoromethyl)phenyl]cyclobutyl]oxycarbonylbut-3-enoic acid
CID 167462540

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxo-1-[4-(trifluoromethyl)phenyl]cyclohexyl] carbamate?
The IUPAC name of [(1R)-2-oxo-1-[4-(trifluoromethyl)phenyl]cyclohexyl] carbamate (CID 175467808) is [(1R)-2-oxo-1-[4-(trifluoromethyl)phenyl]cyclohexyl] carbamate.
What is the SMILES notation for [(1R)-2-oxo-1-[4-(trifluoromethyl)phenyl]cyclohexyl] carbamate?
The canonical SMILES for [(1R)-2-oxo-1-[4-(trifluoromethyl)phenyl]cyclohexyl] carbamate is NC(=O)O[C@@]1(c2ccc(C(F)(F)F)cc2)CCCCC1=O.
What is the InChIKey of [(1R)-2-oxo-1-[4-(trifluoromethyl)phenyl]cyclohexyl] carbamate?
The InChIKey is LOODXCZWFOCMJA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14F3NO3/c15-14(16,17)10-6-4-9(5-7-10)13(21-12(18)20)8-2-1-3-11(13)19/h4-7H,1-3,8H2,(H2,18,20)/t13-/m1/s1.
What are the key properties of [(1R)-2-oxo-1-[4-(trifluoromethyl)phenyl]cyclohexyl] carbamate?
[(1R)-2-oxo-1-[4-(trifluoromethyl)phenyl]cyclohexyl] carbamate has a molecular weight of 301.26 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxo-1-[4-(trifluoromethyl)phenyl]cyclohexyl] carbamate is sourced from PubChem (CID 175467808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).