3-fluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]aniline

C14H11F4N — CID 171906268

IUPAC3-fluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
SMILESCc1c(N)ccc(-c2ccc(C(F)(F)F)cc2)c1F
InChIInChI=1S/C14H11F4N/c1-8-12(19)7-6-11(13(8)15)9-2-4-10(5-3-9)14(16,17)18/h2-7H,19H2,1H3
InChIKeyQTNATOGDHBDVES-UHFFFAOYSA-N
MW269.24 g/mol
LogP4.40
Rot. Bonds1

About 3-fluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]aniline

3-fluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 171906268) has the molecular formula C14H11F4N and a molecular weight of 269.24 g/mol. Its IUPAC name is 3-fluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name3-fluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
PubChem CID171906268
Molecular FormulaC14H11F4N
Molecular Weight269.24 g/mol
Exact Mass269.08
IUPAC Name3-fluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
SMILESCc1c(N)ccc(-c2ccc(C(F)(F)F)cc2)c1F
InChIInChI=1S/C14H11F4N/c1-8-12(19)7-6-11(13(8)15)9-2-4-10(5-3-9)14(16,17)18/h2-7H,19H2,1H3
InChIKeyQTNATOGDHBDVES-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 54.40
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

2-fluoro-3-[4-(trifluoromethyl)phenyl]aniline
CID 134624111
2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 23005194
1,2,4,5-tetrafluoro-3-methyl-6-[4-(trifluoromethyl)phenyl]benzene
CID 134628457
2-chloro-1,3-difluoro-4-[4-(trifluoromethyl)phenyl]benzene
CID 134625909
2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)aniline
CID 16754337
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
2-chloro-5-fluoro-4-[4-(trifluoromethyl)phenyl]aniline
CID 171921674
2,3-dichloro-1-methyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 171367983
2-(4-ethylsulfanylphenyl)-4-(trifluoromethyl)aniline
CID 69434622
1-[4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanone
CID 102755531
4-(trifluoromethoxy)-2-[4-(trifluoromethyl)phenyl]aniline
CID 119006097
ethyl 3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]benzoate
CID 119013664

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 3-fluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]aniline (CID 171906268) is 3-fluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 3-fluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 3-fluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]aniline is Cc1c(N)ccc(-c2ccc(C(F)(F)F)cc2)c1F.
What is the InChIKey of 3-fluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is QTNATOGDHBDVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N/c1-8-12(19)7-6-11(13(8)15)9-2-4-10(5-3-9)14(16,17)18/h2-7H,19H2,1H3.
What are the key properties of 3-fluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]aniline?
3-fluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 269.24 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 171906268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).