3-chloro-N-(2,2-difluoroethyl)aniline

C8H8ClF2N — CID 9510

IUPAC3-chloro-N-(2,2-difluoroethyl)aniline
SMILESFC(F)CNc1cccc(Cl)c1
InChIInChI=1S/C8H8ClF2N/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4,8,12H,5H2
InChIKeyQSLIBRQKKASYQF-UHFFFAOYSA-N
MW191.61 g/mol
LogP3.02
Rot. Bonds3

About 3-chloro-N-(2,2-difluoroethyl)aniline

3-chloro-N-(2,2-difluoroethyl)aniline (PubChem CID 9510) has the molecular formula C8H8ClF2N and a molecular weight of 191.61 g/mol. Its IUPAC name is 3-chloro-N-(2,2-difluoroethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-(2,2-difluoroethyl)aniline
PubChem CID9510
Molecular FormulaC8H8ClF2N
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name3-chloro-N-(2,2-difluoroethyl)aniline
SMILESFC(F)CNc1cccc(Cl)c1
InChIInChI=1S/C8H8ClF2N/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4,8,12H,5H2
InChIKeyQSLIBRQKKASYQF-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.61
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 1355
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1-(4-Chlorophenyl)piperazine
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1-(3-Chlorophenyl)piperazine dihydrochloride
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N-(3-chlorophenyl)-2,2,2-trifluoroacetamide
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1-(3,5-Dichlorophenyl)piperazine
CID 2736067
N,N-Dimethyl-3-chloroaniline
CID 23285
3-Chlorodiphenylamine
CID 7545
Benzenamine, 2-chloro-N-methyl-
CID 136736
4-chloro-N-propylaniline
CID 12512909
N-(3-chloro-4-fluorophenyl)-1-methyl-4-piperidinamine
CID 2846380

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2-difluoroethyl)aniline?
The IUPAC name of 3-chloro-N-(2,2-difluoroethyl)aniline (CID 9510) is 3-chloro-N-(2,2-difluoroethyl)aniline.
What is the SMILES notation for 3-chloro-N-(2,2-difluoroethyl)aniline?
The canonical SMILES for 3-chloro-N-(2,2-difluoroethyl)aniline is FC(F)CNc1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2,2-difluoroethyl)aniline?
The InChIKey is QSLIBRQKKASYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4,8,12H,5H2.
What are the key properties of 3-chloro-N-(2,2-difluoroethyl)aniline?
3-chloro-N-(2,2-difluoroethyl)aniline has a molecular weight of 191.61 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-difluoroethyl)aniline is sourced from PubChem (CID 9510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).