[2-chloro-4-(trifluoromethyl)phenyl] carbamate

C8H5ClF3NO2 — CID 68755563

IUPAC[2-chloro-4-(trifluoromethyl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H5ClF3NO2/c9-5-3-4(8(10,11)12)1-2-6(5)15-7(13)14/h1-3H,(H2,13,14)
InChIKeyWSSTVMJLOFKZKD-UHFFFAOYSA-N
MW239.58 g/mol
LogP2.82
Rot. Bonds1

About [2-chloro-4-(trifluoromethyl)phenyl] carbamate

[2-chloro-4-(trifluoromethyl)phenyl] carbamate (PubChem CID 68755563) has the molecular formula C8H5ClF3NO2 and a molecular weight of 239.58 g/mol. Its IUPAC name is [2-chloro-4-(trifluoromethyl)phenyl] carbamate.

Molecular Properties

Compound Name[2-chloro-4-(trifluoromethyl)phenyl] carbamate
PubChem CID68755563
Molecular FormulaC8H5ClF3NO2
Molecular Weight239.58 g/mol
Exact Mass239.00
IUPAC Name[2-chloro-4-(trifluoromethyl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H5ClF3NO2/c9-5-3-4(8(10,11)12)1-2-6(5)15-7(13)14/h1-3H,(H2,13,14)
InChIKeyWSSTVMJLOFKZKD-UHFFFAOYSA-N
XLogP2.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-4-(trifluoromethyl)phenyl] 3,3-dimethylbutanoate
CID 90868666
[2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate
CID 151784104
[2-(3,5-difluorophenyl)-4-(trifluoromethyl)phenyl] carbamate
CID 121375011
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
[2-chloro-4-(trifluoromethyl)phenoxy]-methylidene-λ3-iodane
CID 162584901
(Z)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]but-2-enoic acid
CID 70608647
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]but-2-enoic acid
CID 54400274
1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 20571965
2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 124704375
[3-(trifluoromethyl)phenyl] carbamate
CID 56614861
3-[2-chloro-4-(trifluoromethyl)phenoxy]propan-1-amine
CID 83409127
4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 12940613

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(trifluoromethyl)phenyl] carbamate?
The IUPAC name of [2-chloro-4-(trifluoromethyl)phenyl] carbamate (CID 68755563) is [2-chloro-4-(trifluoromethyl)phenyl] carbamate.
What is the SMILES notation for [2-chloro-4-(trifluoromethyl)phenyl] carbamate?
The canonical SMILES for [2-chloro-4-(trifluoromethyl)phenyl] carbamate is NC(=O)Oc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of [2-chloro-4-(trifluoromethyl)phenyl] carbamate?
The InChIKey is WSSTVMJLOFKZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO2/c9-5-3-4(8(10,11)12)1-2-6(5)15-7(13)14/h1-3H,(H2,13,14).
What are the key properties of [2-chloro-4-(trifluoromethyl)phenyl] carbamate?
[2-chloro-4-(trifluoromethyl)phenyl] carbamate has a molecular weight of 239.58 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(trifluoromethyl)phenyl] carbamate is sourced from PubChem (CID 68755563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).