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

C14H8ClF4NO2 — CID 3642626

IUPAC(2-fluorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)Oc1ccccc1F
InChIInChI=1S/C14H8ClF4NO2/c15-8-5-6-11(9(7-8)14(17,18)19)20-13(21)22-12-4-2-1-3-10(12)16/h1-7H,(H,20,21)
InChIKeyHZWPRODXRDKQLO-UHFFFAOYSA-N
MW333.67 g/mol
LogP5.11
Rot. Bonds2

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

(2-fluorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate (PubChem CID 3642626) has the molecular formula C14H8ClF4NO2 and a molecular weight of 333.67 g/mol. Its IUPAC name is (2-fluorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Name(2-fluorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
PubChem CID3642626
Molecular FormulaC14H8ClF4NO2
Molecular Weight333.67 g/mol
Exact Mass333.02
IUPAC Name(2-fluorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)Oc1ccccc1F
InChIInChI=1S/C14H8ClF4NO2/c15-8-5-6-11(9(7-8)14(17,18)19)20-13(21)22-12-4-2-1-3-10(12)16/h1-7H,(H,20,21)
InChIKeyHZWPRODXRDKQLO-UHFFFAOYSA-N
XLogP5.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.67
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-phenylphenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 134118223
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
CID 108866565
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
CID 18892483
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
(2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 4621666
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509
(2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 4685388
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide
CID 113001024
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 108894207
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
CID 109008379
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of (2-fluorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate (CID 3642626) is (2-fluorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for (2-fluorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for (2-fluorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate is O=C(Nc1ccc(Cl)cc1C(F)(F)F)Oc1ccccc1F.
What is the InChIKey of (2-fluorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
The InChIKey is HZWPRODXRDKQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF4NO2/c15-8-5-6-11(9(7-8)14(17,18)19)20-13(21)22-12-4-2-1-3-10(12)16/h1-7H,(H,20,21).
What are the key properties of (2-fluorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
(2-fluorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate has a molecular weight of 333.67 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 3642626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).