[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine

C9H9F4N — CID 170915483

IUPAC[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine
SMILESNCc1ccc(CC(F)(F)F)c(F)c1
InChIInChI=1S/C9H9F4N/c10-8-3-6(5-14)1-2-7(8)4-9(11,12)13/h1-3H,4-5,14H2
InChIKeyOEMMNLMHKYVYBR-UHFFFAOYSA-N
MW207.17 g/mol
LogP2.39
Rot. Bonds2

About [3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine

[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine (PubChem CID 170915483) has the molecular formula C9H9F4N and a molecular weight of 207.17 g/mol. Its IUPAC name is [3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine
PubChem CID170915483
Molecular FormulaC9H9F4N
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC Name[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine
SMILESNCc1ccc(CC(F)(F)F)c(F)c1
InChIInChI=1S/C9H9F4N/c10-8-3-6(5-14)1-2-7(8)4-9(11,12)13/h1-3H,4-5,14H2
InChIKeyOEMMNLMHKYVYBR-UHFFFAOYSA-N
XLogP2.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetic acid
CID 91883083
[4-(tert-butylsulfonylmethyl)-3-fluorophenyl]methanamine
CID 64696756
[5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 19065069
2-[2-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetaldehyde
CID 122575553
[3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine
CID 64696823
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[4-(benzylsulfanylmethyl)-3-fluorophenyl]methanamine
CID 43530216
(4-tert-butyl-3-(18F)fluorophenyl)methanamine
CID 59678658
[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]methanamine
CID 112587276
[4-(butan-2-ylsulfanylmethyl)-3-fluorophenyl]methanamine
CID 43530004
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine
CID 43270934
3-[4-(aminomethyl)-3-fluorophenyl]propan-1-amine;dihydrochloride
CID 22743258

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine (CID 170915483) is [3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine is NCc1ccc(CC(F)(F)F)c(F)c1.
What is the InChIKey of [3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine?
The InChIKey is OEMMNLMHKYVYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N/c10-8-3-6(5-14)1-2-7(8)4-9(11,12)13/h1-3H,4-5,14H2.
What are the key properties of [3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine?
[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine has a molecular weight of 207.17 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine is sourced from PubChem (CID 170915483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).