N-(3-fluorophenyl)-2,5-bis(trifluoromethyl)aniline

C14H8F7N — CID 155290773

IUPACN-(3-fluorophenyl)-2,5-bis(trifluoromethyl)aniline
SMILESFc1cccc(Nc2cc(C(F)(F)F)ccc2C(F)(F)F)c1
InChIInChI=1S/C14H8F7N/c15-9-2-1-3-10(7-9)22-12-6-8(13(16,17)18)4-5-11(12)14(19,20)21/h1-7,22H
InChIKeyUZWDNHOVHHOQOZ-UHFFFAOYSA-N
MW323.21 g/mol
LogP5.61
Rot. Bonds2

About N-(3-fluorophenyl)-2,5-bis(trifluoromethyl)aniline

N-(3-fluorophenyl)-2,5-bis(trifluoromethyl)aniline (PubChem CID 155290773) has the molecular formula C14H8F7N and a molecular weight of 323.21 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2,5-bis(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2,5-bis(trifluoromethyl)aniline
PubChem CID155290773
Molecular FormulaC14H8F7N
Molecular Weight323.21 g/mol
Exact Mass323.05
IUPAC NameN-(3-fluorophenyl)-2,5-bis(trifluoromethyl)aniline
SMILESFc1cccc(Nc2cc(C(F)(F)F)ccc2C(F)(F)F)c1
InChIInChI=1S/C14H8F7N/c15-9-2-1-3-10(7-9)22-12-6-8(13(16,17)18)4-5-11(12)14(19,20)21/h1-7,22H
InChIKeyUZWDNHOVHHOQOZ-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.21
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2,5-bis(trifluoromethyl)anilino]phenol
CID 155290288
4-tert-butyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 155344319
2-bromo-4-tert-butyl-N-(3-fluorophenyl)aniline
CID 177279159
6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878677
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
3-fluoro-N-phenylaniline
CID 2774466
2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
CID 82536810
2-ethyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 142875759
2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763
1-[2-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]hydrazine
CID 87619442
3-fluoro-N-(4-fluorophenyl)aniline
CID 54316192
6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129760

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2,5-bis(trifluoromethyl)aniline?
The IUPAC name of N-(3-fluorophenyl)-2,5-bis(trifluoromethyl)aniline (CID 155290773) is N-(3-fluorophenyl)-2,5-bis(trifluoromethyl)aniline.
What is the SMILES notation for N-(3-fluorophenyl)-2,5-bis(trifluoromethyl)aniline?
The canonical SMILES for N-(3-fluorophenyl)-2,5-bis(trifluoromethyl)aniline is Fc1cccc(Nc2cc(C(F)(F)F)ccc2C(F)(F)F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2,5-bis(trifluoromethyl)aniline?
The InChIKey is UZWDNHOVHHOQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F7N/c15-9-2-1-3-10(7-9)22-12-6-8(13(16,17)18)4-5-11(12)14(19,20)21/h1-7,22H.
What are the key properties of N-(3-fluorophenyl)-2,5-bis(trifluoromethyl)aniline?
N-(3-fluorophenyl)-2,5-bis(trifluoromethyl)aniline has a molecular weight of 323.21 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2,5-bis(trifluoromethyl)aniline is sourced from PubChem (CID 155290773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).