2-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine

C9H9F4N — CID 84674830

IUPAC2-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine
SMILESNCCc1cccc(F)c1C(F)(F)F
InChIInChI=1S/C9H9F4N/c10-7-3-1-2-6(4-5-14)8(7)9(11,12)13/h1-3H,4-5,14H2
InChIKeyXOHSNSSYQFSBHL-UHFFFAOYSA-N
MW207.17 g/mol
LogP2.35
Rot. Bonds2

About 2-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine

2-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 84674830) has the molecular formula C9H9F4N and a molecular weight of 207.17 g/mol. Its IUPAC name is 2-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine
PubChem CID84674830
Molecular FormulaC9H9F4N
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC Name2-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine
SMILESNCCc1cccc(F)c1C(F)(F)F
InChIInChI=1S/C9H9F4N/c10-7-3-1-2-6(4-5-14)8(7)9(11,12)13/h1-3H,4-5,14H2
InChIKeyXOHSNSSYQFSBHL-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine
CID 117337409
N-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117298129
1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-ol
CID 117339844
1-fluoro-3-(isocyanatomethyl)-2-(trifluoromethyl)benzene
CID 117311684
O-[2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]ethyl]hydroxylamine
CID 117306588
2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 19704221
2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 53403533
4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine
CID 84806750
2-[3-fluoro-2-[(2-fluorophenyl)methyl]phenyl]ethanamine
CID 20642648
bis[3-fluoro-2-(trifluoromethyl)phenyl]borinic acid
CID 53216380
2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine
CID 170868655
(2,3-difluorophenyl)methanamine
CID 2736941

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine (CID 84674830) is 2-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine is NCCc1cccc(F)c1C(F)(F)F.
What is the InChIKey of 2-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is XOHSNSSYQFSBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N/c10-7-3-1-2-6(4-5-14)8(7)9(11,12)13/h1-3H,4-5,14H2.
What are the key properties of 2-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine?
2-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 207.17 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 84674830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).