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

C13H9F4N — CID 107289630

IUPAC2-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
SMILESNc1ccccc1-c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H9F4N/c14-11-6-5-8(7-10(11)13(15,16)17)9-3-1-2-4-12(9)18/h1-7H,18H2
InChIKeyIXUBGBCYKFACIG-UHFFFAOYSA-N
MW255.21 g/mol
LogP4.09
Rot. Bonds1

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

2-[4-fluoro-3-(trifluoromethyl)phenyl]aniline (PubChem CID 107289630) has the molecular formula C13H9F4N and a molecular weight of 255.21 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
PubChem CID107289630
Molecular FormulaC13H9F4N
Molecular Weight255.21 g/mol
Exact Mass255.07
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
SMILESNc1ccccc1-c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H9F4N/c14-11-6-5-8(7-10(11)13(15,16)17)9-3-1-2-4-12(9)18/h1-7H,18H2
InChIKeyIXUBGBCYKFACIG-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.21
LogP ≤ 54.09
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-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline
CID 107289642
2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
CID 107289637
1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene
CID 91807915
4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 50994110
4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117367114
4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 45156540
5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]phenol
CID 107290811
2-[3-(2-aminophenyl)phenyl]aniline
CID 69336555
4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 118805901
4-(2-propan-2-ylphenyl)-2-(trifluoromethyl)aniline
CID 175663849
5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 25184302
4-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 107289624

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]aniline (CID 107289630) is 2-[4-fluoro-3-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)phenyl]aniline is Nc1ccccc1-c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)phenyl]aniline?
The InChIKey is IXUBGBCYKFACIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N/c14-11-6-5-8(7-10(11)13(15,16)17)9-3-1-2-4-12(9)18/h1-7H,18H2.
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)phenyl]aniline?
2-[4-fluoro-3-(trifluoromethyl)phenyl]aniline has a molecular weight of 255.21 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 107289630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).