2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine

C9H8F5N — CID 82534396

IUPAC2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(c1ccc(F)c(F)c1)C(F)(F)F
InChIInChI=1S/C9H8F5N/c10-7-2-1-5(3-8(7)11)6(4-15)9(12,13)14/h1-3,6H,4,15H2
InChIKeyPGCMBFWPJBSEBD-UHFFFAOYSA-N
MW225.16 g/mol
LogP2.57
Rot. Bonds2

About 2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine

2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 82534396) has the molecular formula C9H8F5N and a molecular weight of 225.16 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine
PubChem CID82534396
Molecular FormulaC9H8F5N
Molecular Weight225.16 g/mol
Exact Mass225.06
IUPAC Name2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(c1ccc(F)c(F)c1)C(F)(F)F
InChIInChI=1S/C9H8F5N/c10-7-2-1-5(3-8(7)11)6(4-15)9(12,13)14/h1-3,6H,4,15H2
InChIKeyPGCMBFWPJBSEBD-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(3-chlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 96707876
2-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 82534397
2-(3,4-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 70589172
3,3,3-trifluoro-2-(4-phenylphenyl)propan-1-amine
CID 121467476
3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine
CID 79016159
2-(3,4-difluorophenyl)butan-1-amine
CID 82075197
(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
CID 124654147
2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol
CID 82296845
3-(3,4-difluorophenyl)-4,4-dimethylpentanamide
CID 82084654
1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43491310
4-amino-1-(3,4-difluorophenyl)butan-1-ol
CID 82048635
2-(5-chloro-2-methylphenyl)-3,3,3-trifluoropropan-1-amine
CID 82534388

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine (CID 82534396) is 2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine is NCC(c1ccc(F)c(F)c1)C(F)(F)F.
What is the InChIKey of 2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is PGCMBFWPJBSEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5N/c10-7-2-1-5(3-8(7)11)6(4-15)9(12,13)14/h1-3,6H,4,15H2.
What are the key properties of 2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine?
2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 225.16 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 82534396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).