[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl] carbamate

C14H9ClF3NO2 — CID 174676038

IUPAC[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl] carbamate
SMILESNC(=O)Oc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H9ClF3NO2/c15-12-6-3-9(7-11(12)14(16,17)18)8-1-4-10(5-2-8)21-13(19)20/h1-7H,(H2,19,20)
InChIKeyHJMFKIXCIUGIBV-UHFFFAOYSA-N
MW315.68 g/mol
LogP4.48
Rot. Bonds2

About [4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl] carbamate

[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl] carbamate (PubChem CID 174676038) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is [4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl] carbamate.

Molecular Properties

Compound Name[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl] carbamate
PubChem CID174676038
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Name[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl] carbamate
SMILESNC(=O)Oc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H9ClF3NO2/c15-12-6-3-9(7-11(12)14(16,17)18)8-1-4-10(5-2-8)21-13(19)20/h1-7H,(H2,19,20)
InChIKeyHJMFKIXCIUGIBV-UHFFFAOYSA-N
XLogP4.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl] carbamate?
The IUPAC name of [4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl] carbamate (CID 174676038) is [4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl] carbamate.
What is the SMILES notation for [4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl] carbamate?
The canonical SMILES for [4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl] carbamate is NC(=O)Oc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of [4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl] carbamate?
The InChIKey is HJMFKIXCIUGIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c15-12-6-3-9(7-11(12)14(16,17)18)8-1-4-10(5-2-8)21-13(19)20/h1-7H,(H2,19,20).
What are the key properties of [4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl] carbamate?
[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl] carbamate has a molecular weight of 315.68 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl] carbamate is sourced from PubChem (CID 174676038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).