2-chloro-6-fluoro-3-(trifluoromethyl)aniline

C7H4ClF4N — CID 54099645

IUPAC2-chloro-6-fluoro-3-(trifluoromethyl)aniline
SMILESNc1c(F)ccc(C(F)(F)F)c1Cl
InChIInChI=1S/C7H4ClF4N/c8-5-3(7(10,11)12)1-2-4(9)6(5)13/h1-2H,13H2
InChIKeyMZQWGOQDZROYOL-UHFFFAOYSA-N
MW213.56 g/mol
LogP3.08
Rot. Bonds

About 2-chloro-6-fluoro-3-(trifluoromethyl)aniline

2-chloro-6-fluoro-3-(trifluoromethyl)aniline (PubChem CID 54099645) has the molecular formula C7H4ClF4N and a molecular weight of 213.56 g/mol. Its IUPAC name is 2-chloro-6-fluoro-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-6-fluoro-3-(trifluoromethyl)aniline
PubChem CID54099645
Molecular FormulaC7H4ClF4N
Molecular Weight213.56 g/mol
Exact Mass213.00
IUPAC Name2-chloro-6-fluoro-3-(trifluoromethyl)aniline
SMILESNc1c(F)ccc(C(F)(F)F)c1Cl
InChIInChI=1S/C7H4ClF4N/c8-5-3(7(10,11)12)1-2-4(9)6(5)13/h1-2H,13H2
InChIKeyMZQWGOQDZROYOL-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.56
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-chloro-3-(trifluoromethyl)aniline
CID 129201873
2-chloro-6-fluoro-3-(trifluoromethyl)phenol
CID 59010056
3-chloro-2-fluoro-4-(trifluoromethyl)aniline
CID 130849089
2,3-dichloro-6-(trifluoromethyl)aniline
CID 21257594
3-chloro-2,4-bis(trifluoromethyl)aniline
CID 118991382
6-amino-2-chloro-3-(trifluoromethyl)benzenethiol
CID 19906352
2-[2-chloro-6-fluoro-3-(trifluoromethyl)phenyl]acetic acid
CID 119006326
2-chloro-3-methyl-4-(trifluoromethyl)aniline
CID 118991011
3-amino-2-chloro-4-(trifluoromethyl)benzoic acid
CID 84701475
1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134623705
4-chloro-2-methyl-1-(trifluoromethyl)benzene
CID 12712338
2-[2-chloro-3-fluoro-6-(trifluoromethyl)phenyl]acetonitrile
CID 171008918

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-3-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-6-fluoro-3-(trifluoromethyl)aniline (CID 54099645) is 2-chloro-6-fluoro-3-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-6-fluoro-3-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-6-fluoro-3-(trifluoromethyl)aniline is Nc1c(F)ccc(C(F)(F)F)c1Cl.
What is the InChIKey of 2-chloro-6-fluoro-3-(trifluoromethyl)aniline?
The InChIKey is MZQWGOQDZROYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF4N/c8-5-3(7(10,11)12)1-2-4(9)6(5)13/h1-2H,13H2.
What are the key properties of 2-chloro-6-fluoro-3-(trifluoromethyl)aniline?
2-chloro-6-fluoro-3-(trifluoromethyl)aniline has a molecular weight of 213.56 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-3-(trifluoromethyl)aniline is sourced from PubChem (CID 54099645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).