1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine

C9H10F3N — CID 55271873

IUPAC1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine
SMILESCC(N)c1ccc(F)c(C(F)F)c1
InChIInChI=1S/C9H10F3N/c1-5(13)6-2-3-8(10)7(4-6)9(11)12/h2-5,9H,13H2,1H3
InChIKeyBYGFKDNQAGSFIC-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.78
Rot. Bonds2

About 1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine

1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine (PubChem CID 55271873) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine
PubChem CID55271873
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine
SMILESCC(N)c1ccc(F)c(C(F)F)c1
InChIInChI=1S/C9H10F3N/c1-5(13)6-2-3-8(10)7(4-6)9(11)12/h2-5,9H,13H2,1H3
InChIKeyBYGFKDNQAGSFIC-UHFFFAOYSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-aminoethyl)-2-(difluoromethyl)phenol
CID 84660904
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
(2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol
CID 66514177
(2R)-2-amino-2-[5-(difluoromethyl)-2-fluorophenyl]ethanol
CID 66514200
1-(3-fluoro-4-pentan-3-ylphenyl)ethanamine
CID 83834604
1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine
CID 82541956
1-(4-fluoro-3-nitrophenyl)ethanamine
CID 55283100
2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol
CID 84684485
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine?
The IUPAC name of 1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine (CID 55271873) is 1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine?
The canonical SMILES for 1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine is CC(N)c1ccc(F)c(C(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine?
The InChIKey is BYGFKDNQAGSFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-5(13)6-2-3-8(10)7(4-6)9(11)12/h2-5,9H,13H2,1H3.
What are the key properties of 1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine?
1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine has a molecular weight of 189.18 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine is sourced from PubChem (CID 55271873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).