[2-(3,5-difluorophenyl)-4-(trifluoromethyl)phenyl] carbamate

C14H8F5NO2 — CID 121375011

IUPAC[2-(3,5-difluorophenyl)-4-(trifluoromethyl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(C(F)(F)F)cc1-c1cc(F)cc(F)c1
InChIInChI=1S/C14H8F5NO2/c15-9-3-7(4-10(16)6-9)11-5-8(14(17,18)19)1-2-12(11)22-13(20)21/h1-6H,(H2,20,21)
InChIKeyFKVXCQLRDLGUHV-UHFFFAOYSA-N
MW317.21 g/mol
LogP4.11
Rot. Bonds2

About [2-(3,5-difluorophenyl)-4-(trifluoromethyl)phenyl] carbamate

[2-(3,5-difluorophenyl)-4-(trifluoromethyl)phenyl] carbamate (PubChem CID 121375011) has the molecular formula C14H8F5NO2 and a molecular weight of 317.21 g/mol. Its IUPAC name is [2-(3,5-difluorophenyl)-4-(trifluoromethyl)phenyl] carbamate.

Molecular Properties

Compound Name[2-(3,5-difluorophenyl)-4-(trifluoromethyl)phenyl] carbamate
PubChem CID121375011
Molecular FormulaC14H8F5NO2
Molecular Weight317.21 g/mol
Exact Mass317.05
IUPAC Name[2-(3,5-difluorophenyl)-4-(trifluoromethyl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(C(F)(F)F)cc1-c1cc(F)cc(F)c1
InChIInChI=1S/C14H8F5NO2/c15-9-3-7(4-10(16)6-9)11-5-8(14(17,18)19)1-2-12(11)22-13(20)21/h1-6H,(H2,20,21)
InChIKeyFKVXCQLRDLGUHV-UHFFFAOYSA-N
XLogP4.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-4-(trifluoromethyl)phenyl] carbamate
CID 68755563
[2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate
CID 151784104
[4-fluoro-2-(4-methylphenyl)phenyl] carbamate;2,2,2-trifluoroacetic acid
CID 159259690
2-[2-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]acetamide
CID 46212198
[3-(trifluoromethyl)phenyl] carbamate
CID 56614861
4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
CID 53218469
3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
CID 53228592
(2S)-2-[2-(4-carbamoyl-3-fluorophenyl)-4-(trifluoromethyl)phenoxy]propanoic acid
CID 70658283
[4-methyl-2-[4-(trifluoromethyl)phenyl]phenyl] hydrogen carbonate
CID 151936127
2-(4-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 172648600
(4-methyl-2-phenylphenyl) carbamate
CID 68986573
[2-(2-cyanothiophen-3-yl)-4-(trifluoromethyl)phenyl] acetate
CID 90742215

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-difluorophenyl)-4-(trifluoromethyl)phenyl] carbamate?
The IUPAC name of [2-(3,5-difluorophenyl)-4-(trifluoromethyl)phenyl] carbamate (CID 121375011) is [2-(3,5-difluorophenyl)-4-(trifluoromethyl)phenyl] carbamate.
What is the SMILES notation for [2-(3,5-difluorophenyl)-4-(trifluoromethyl)phenyl] carbamate?
The canonical SMILES for [2-(3,5-difluorophenyl)-4-(trifluoromethyl)phenyl] carbamate is NC(=O)Oc1ccc(C(F)(F)F)cc1-c1cc(F)cc(F)c1.
What is the InChIKey of [2-(3,5-difluorophenyl)-4-(trifluoromethyl)phenyl] carbamate?
The InChIKey is FKVXCQLRDLGUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5NO2/c15-9-3-7(4-10(16)6-9)11-5-8(14(17,18)19)1-2-12(11)22-13(20)21/h1-6H,(H2,20,21).
What are the key properties of [2-(3,5-difluorophenyl)-4-(trifluoromethyl)phenyl] carbamate?
[2-(3,5-difluorophenyl)-4-(trifluoromethyl)phenyl] carbamate has a molecular weight of 317.21 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-difluorophenyl)-4-(trifluoromethyl)phenyl] carbamate is sourced from PubChem (CID 121375011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).