4-chloro-N-(2,2,2-trifluoroethyl)aniline

C8H7ClF3N — CID 10420625

IUPAC4-chloro-N-(2,2,2-trifluoroethyl)aniline
SMILESFC(F)(F)CNc1ccc(Cl)cc1
InChIInChI=1S/C8H7ClF3N/c9-6-1-3-7(4-2-6)13-5-8(10,11)12/h1-4,13H,5H2
InChIKeyIPGVRHNLRNFLOP-UHFFFAOYSA-N
MW209.60 g/mol
LogP3.31
Rot. Bonds2

About 4-chloro-N-(2,2,2-trifluoroethyl)aniline

4-chloro-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 10420625) has the molecular formula C8H7ClF3N and a molecular weight of 209.60 g/mol. Its IUPAC name is 4-chloro-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(2,2,2-trifluoroethyl)aniline
PubChem CID10420625
Molecular FormulaC8H7ClF3N
Molecular Weight209.60 g/mol
Exact Mass209.02
IUPAC Name4-chloro-N-(2,2,2-trifluoroethyl)aniline
SMILESFC(F)(F)CNc1ccc(Cl)cc1
InChIInChI=1S/C8H7ClF3N/c9-6-1-3-7(4-2-6)13-5-8(10,11)12/h1-4,13H,5H2
InChIKeyIPGVRHNLRNFLOP-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.60
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 70272
1-(4-Chlorophenyl)piperazine
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1-(4-Chlorophenyl)-2-methylpiperazine
CID 98289
4-Chloro-N,N-dimethylaniline
CID 136530
N-benzyl-4-chloroaniline
CID 76281
N-(4-chlorophenyl)-1-ethyl-4-piperidinamine
CID 868366
N-(4-chlorophenyl)-1-methylpiperidin-4-amine
CID 867305
N-(4-Chlorophenyl)-2,2,2-trifluoroacetamide
CID 9830
4-Chloro-N-phenylaniline
CID 14570
Benzenamine, 2-chloro-N-methyl-
CID 136736
4-chloro-N-propylaniline
CID 12512909

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 4-chloro-N-(2,2,2-trifluoroethyl)aniline (CID 10420625) is 4-chloro-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 4-chloro-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 4-chloro-N-(2,2,2-trifluoroethyl)aniline is FC(F)(F)CNc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is IPGVRHNLRNFLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N/c9-6-1-3-7(4-2-6)13-5-8(10,11)12/h1-4,13H,5H2.
What are the key properties of 4-chloro-N-(2,2,2-trifluoroethyl)aniline?
4-chloro-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 209.60 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 10420625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).