4-chloro-3-fluoro-N-(2-fluoroethyl)aniline

C8H8ClF2N — CID 80695979

IUPAC4-chloro-3-fluoro-N-(2-fluoroethyl)aniline
SMILESFCCNc1ccc(Cl)c(F)c1
InChIInChI=1S/C8H8ClF2N/c9-7-2-1-6(5-8(7)11)12-4-3-10/h1-2,5,12H,3-4H2
InChIKeyGJJJTONFFSWRBQ-UHFFFAOYSA-N
MW191.61 g/mol
LogP2.86
Rot. Bonds3

About 4-chloro-3-fluoro-N-(2-fluoroethyl)aniline

4-chloro-3-fluoro-N-(2-fluoroethyl)aniline (PubChem CID 80695979) has the molecular formula C8H8ClF2N and a molecular weight of 191.61 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-(2-fluoroethyl)aniline.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-(2-fluoroethyl)aniline
PubChem CID80695979
Molecular FormulaC8H8ClF2N
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name4-chloro-3-fluoro-N-(2-fluoroethyl)aniline
SMILESFCCNc1ccc(Cl)c(F)c1
InChIInChI=1S/C8H8ClF2N/c9-7-2-1-6(5-8(7)11)12-4-3-10/h1-2,5,12H,3-4H2
InChIKeyGJJJTONFFSWRBQ-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 115513611
4-chloro-N-(2-ethylsulfanylethyl)-3-fluoroaniline
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4-chloro-3-fluoro-N-pent-4-ynylaniline
CID 115872006
N'-(4-chloro-3-fluorophenyl)-2-methylpropane-1,3-diamine
CID 130604425
N-(2-bromoprop-2-enyl)-4-chloro-3-fluoroaniline
CID 61467052
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
CID 43721394
4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline
CID 81145480
(4-chloro-3-fluorophenyl)hydrazine
CID 53413991
3,4-dichloro-N-(3-fluoropropyl)aniline
CID 81106053
4-chloro-N-[[(Z)-ethylideneamino]methyl]-3-fluoroaniline
CID 171509214
2-[(4-chloro-3-fluoroanilino)methyl]phenol
CID 4913246
4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 43721513

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-(2-fluoroethyl)aniline?
The IUPAC name of 4-chloro-3-fluoro-N-(2-fluoroethyl)aniline (CID 80695979) is 4-chloro-3-fluoro-N-(2-fluoroethyl)aniline.
What is the SMILES notation for 4-chloro-3-fluoro-N-(2-fluoroethyl)aniline?
The canonical SMILES for 4-chloro-3-fluoro-N-(2-fluoroethyl)aniline is FCCNc1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-(2-fluoroethyl)aniline?
The InChIKey is GJJJTONFFSWRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N/c9-7-2-1-6(5-8(7)11)12-4-3-10/h1-2,5,12H,3-4H2.
What are the key properties of 4-chloro-3-fluoro-N-(2-fluoroethyl)aniline?
4-chloro-3-fluoro-N-(2-fluoroethyl)aniline has a molecular weight of 191.61 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-(2-fluoroethyl)aniline is sourced from PubChem (CID 80695979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).