2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline

C13H9F4NO — CID 134624108

IUPAC2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline
SMILESNc1cccc(-c2cccc(OC(F)(F)F)c2)c1F
InChIInChI=1S/C13H9F4NO/c14-12-10(5-2-6-11(12)18)8-3-1-4-9(7-8)19-13(15,16)17/h1-7H,18H2
InChIKeyDGYNUZDSBBTDNW-UHFFFAOYSA-N
MW271.21 g/mol
LogP3.97
Rot. Bonds2

About 2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline

2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline (PubChem CID 134624108) has the molecular formula C13H9F4NO and a molecular weight of 271.21 g/mol. Its IUPAC name is 2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Name2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline
PubChem CID134624108
Molecular FormulaC13H9F4NO
Molecular Weight271.21 g/mol
Exact Mass271.06
IUPAC Name2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline
SMILESNc1cccc(-c2cccc(OC(F)(F)F)c2)c1F
InChIInChI=1S/C13H9F4NO/c14-12-10(5-2-6-11(12)18)8-3-1-4-9(7-8)19-13(15,16)17/h1-7H,18H2
InChIKeyDGYNUZDSBBTDNW-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
2-methyl-3-[3-(trifluoromethoxy)phenyl]aniline
CID 107626546
3-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 134624116
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
4-methyl-2,6-bis[3-(trifluoromethoxy)phenyl]aniline
CID 23628482
4-methoxy-2-[3-(trifluoromethoxy)phenyl]aniline
CID 156613139
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 118828810
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol
CID 79018315
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of 2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline (CID 134624108) is 2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for 2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for 2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline is Nc1cccc(-c2cccc(OC(F)(F)F)c2)c1F.
What is the InChIKey of 2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline?
The InChIKey is DGYNUZDSBBTDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO/c14-12-10(5-2-6-11(12)18)8-3-1-4-9(7-8)19-13(15,16)17/h1-7H,18H2.
What are the key properties of 2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline?
2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline has a molecular weight of 271.21 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 134624108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).