4-(aminomethyl)-2-fluoro-6-(trifluoromethyl)aniline

C8H8F4N2 — CID 118829137

IUPAC4-(aminomethyl)-2-fluoro-6-(trifluoromethyl)aniline
SMILESNCc1cc(F)c(N)c(C(F)(F)F)c1
InChIInChI=1S/C8H8F4N2/c9-6-2-4(3-13)1-5(7(6)14)8(10,11)12/h1-2H,3,13-14H2
InChIKeyHVZZQHPSMOYMGA-UHFFFAOYSA-N
MW208.16 g/mol
LogP1.89
Rot. Bonds1

About 4-(aminomethyl)-2-fluoro-6-(trifluoromethyl)aniline

4-(aminomethyl)-2-fluoro-6-(trifluoromethyl)aniline (PubChem CID 118829137) has the molecular formula C8H8F4N2 and a molecular weight of 208.16 g/mol. Its IUPAC name is 4-(aminomethyl)-2-fluoro-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-fluoro-6-(trifluoromethyl)aniline
PubChem CID118829137
Molecular FormulaC8H8F4N2
Molecular Weight208.16 g/mol
Exact Mass208.06
IUPAC Name4-(aminomethyl)-2-fluoro-6-(trifluoromethyl)aniline
SMILESNCc1cc(F)c(N)c(C(F)(F)F)c1
InChIInChI=1S/C8H8F4N2/c9-6-2-4(3-13)1-5(7(6)14)8(10,11)12/h1-2H,3,13-14H2
InChIKeyHVZZQHPSMOYMGA-UHFFFAOYSA-N
XLogP1.89
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-2-(trifluoromethyl)aniline
CID 55255909
[4-ethyl-3,5-bis(trifluoromethyl)phenyl]methanamine
CID 135742788
4-(aminomethyl)-2,6-bis(trifluoromethyl)benzonitrile
CID 134623563
2-[2-amino-5-[[4-amino-3-fluoro-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3-fluorophenyl]-1,1,1-trifluoropropan-2-ol
CID 90180695
(3,4,5-trifluorophenyl)methanamine;hydrochloride
CID 86064922
[4-iodo-3-(trifluoromethyl)phenyl]methanamine
CID 53414331
(3,5-difluoro-4-methylsulfanylphenyl)methanamine
CID 63814041
[4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
CID 102708717
(4-tert-butyl-3-(18F)fluorophenyl)methanamine
CID 59678658
3-(aminomethyl)-4-fluoro-5-(trifluoromethyl)aniline
CID 131010835
4-methyl-2,6-bis(trifluoromethyl)aniline
CID 58782199
[2-fluoro-4-iodo-6-(trifluoromethyl)phenyl]methanamine
CID 171010565

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-fluoro-6-(trifluoromethyl)aniline?
The IUPAC name of 4-(aminomethyl)-2-fluoro-6-(trifluoromethyl)aniline (CID 118829137) is 4-(aminomethyl)-2-fluoro-6-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-2-fluoro-6-(trifluoromethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-2-fluoro-6-(trifluoromethyl)aniline is NCc1cc(F)c(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-(aminomethyl)-2-fluoro-6-(trifluoromethyl)aniline?
The InChIKey is HVZZQHPSMOYMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2/c9-6-2-4(3-13)1-5(7(6)14)8(10,11)12/h1-2H,3,13-14H2.
What are the key properties of 4-(aminomethyl)-2-fluoro-6-(trifluoromethyl)aniline?
4-(aminomethyl)-2-fluoro-6-(trifluoromethyl)aniline has a molecular weight of 208.16 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-fluoro-6-(trifluoromethyl)aniline is sourced from PubChem (CID 118829137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).