2,3-difluoro-4-(trifluoromethyl)aniline

C7H4F5N — CID 2735902

IUPAC2,3-difluoro-4-(trifluoromethyl)aniline
SMILESNc1ccc(C(F)(F)F)c(F)c1F
InChIInChI=1S/C7H4F5N/c8-5-3(7(10,11)12)1-2-4(13)6(5)9/h1-2H,13H2
InChIKeyRRTVKWPCWJVMGM-UHFFFAOYSA-N
MW197.11 g/mol
LogP2.57
Rot. Bonds

About 2,3-difluoro-4-(trifluoromethyl)aniline

2,3-difluoro-4-(trifluoromethyl)aniline (PubChem CID 2735902) has the molecular formula C7H4F5N and a molecular weight of 197.11 g/mol. Its IUPAC name is 2,3-difluoro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2,3-difluoro-4-(trifluoromethyl)aniline
PubChem CID2735902
Molecular FormulaC7H4F5N
Molecular Weight197.11 g/mol
Exact Mass197.03
IUPAC Name2,3-difluoro-4-(trifluoromethyl)aniline
SMILESNc1ccc(C(F)(F)F)c(F)c1F
InChIInChI=1S/C7H4F5N/c8-5-3(7(10,11)12)1-2-4(13)6(5)9/h1-2H,13H2
InChIKeyRRTVKWPCWJVMGM-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.11
LogP ≤ 52.57
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

3-chloro-2-fluoro-4-(trifluoromethyl)aniline
CID 130849089
2-(bromomethyl)-3-fluoro-4-(trifluoromethyl)aniline
CID 134630714
2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134658062
3-chloro-2,4-bis(trifluoromethyl)aniline
CID 118991382
1-(chloromethyl)-2,3-difluoro-4-(trifluoromethyl)benzene
CID 121234690
1-ethynyl-2,3-difluoro-4-(trifluoromethyl)benzene
CID 19690541
4-[4-amino-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
CID 161352173
6-amino-2-chloro-3-(trifluoromethyl)benzenethiol
CID 19906352
2-chloro-3-methyl-4-(trifluoromethyl)aniline
CID 118991011
3-fluorobenzene-1,2,4-triamine
CID 89010456
(2S)-2-amino-2-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethanol
CID 66515534
2,3-difluoro-4-methylaniline;ethane
CID 145013768

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(trifluoromethyl)aniline?
The IUPAC name of 2,3-difluoro-4-(trifluoromethyl)aniline (CID 2735902) is 2,3-difluoro-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2,3-difluoro-4-(trifluoromethyl)aniline?
The canonical SMILES for 2,3-difluoro-4-(trifluoromethyl)aniline is Nc1ccc(C(F)(F)F)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-(trifluoromethyl)aniline?
The InChIKey is RRTVKWPCWJVMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5N/c8-5-3(7(10,11)12)1-2-4(13)6(5)9/h1-2H,13H2.
What are the key properties of 2,3-difluoro-4-(trifluoromethyl)aniline?
2,3-difluoro-4-(trifluoromethyl)aniline has a molecular weight of 197.11 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 2735902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).