[4-chloro-3-(trifluoromethyl)phenyl]-ethylcarbamic acid

C10H9ClF3NO2 — CID 163197261

IUPAC[4-chloro-3-(trifluoromethyl)phenyl]-ethylcarbamic acid
SMILESCCN(C(=O)O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO2/c1-2-15(9(16)17)6-3-4-8(11)7(5-6)10(12,13)14/h3-5H,2H2,1H3,(H,16,17)
InChIKeyYXXHWQRFCOYDNV-UHFFFAOYSA-N
MW267.63 g/mol
LogP3.86
Rot. Bonds2

About [4-chloro-3-(trifluoromethyl)phenyl]-ethylcarbamic acid

[4-chloro-3-(trifluoromethyl)phenyl]-ethylcarbamic acid (PubChem CID 163197261) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is [4-chloro-3-(trifluoromethyl)phenyl]-ethylcarbamic acid.

Molecular Properties

Compound Name[4-chloro-3-(trifluoromethyl)phenyl]-ethylcarbamic acid
PubChem CID163197261
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC Name[4-chloro-3-(trifluoromethyl)phenyl]-ethylcarbamic acid
SMILESCCN(C(=O)O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO2/c1-2-15(9(16)17)6-3-4-8(11)7(5-6)10(12,13)14/h3-5H,2H2,1H3,(H,16,17)
InChIKeyYXXHWQRFCOYDNV-UHFFFAOYSA-N
XLogP3.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(trifluoromethyl)phenyl]-ethylcarbamic acid?
The IUPAC name of [4-chloro-3-(trifluoromethyl)phenyl]-ethylcarbamic acid (CID 163197261) is [4-chloro-3-(trifluoromethyl)phenyl]-ethylcarbamic acid.
What is the SMILES notation for [4-chloro-3-(trifluoromethyl)phenyl]-ethylcarbamic acid?
The canonical SMILES for [4-chloro-3-(trifluoromethyl)phenyl]-ethylcarbamic acid is CCN(C(=O)O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of [4-chloro-3-(trifluoromethyl)phenyl]-ethylcarbamic acid?
The InChIKey is YXXHWQRFCOYDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c1-2-15(9(16)17)6-3-4-8(11)7(5-6)10(12,13)14/h3-5H,2H2,1H3,(H,16,17).
What are the key properties of [4-chloro-3-(trifluoromethyl)phenyl]-ethylcarbamic acid?
[4-chloro-3-(trifluoromethyl)phenyl]-ethylcarbamic acid has a molecular weight of 267.63 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(trifluoromethyl)phenyl]-ethylcarbamic acid is sourced from PubChem (CID 163197261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).