2-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine

C9H8F5N — CID 82534397

IUPAC2-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(c1cc(F)ccc1F)C(F)(F)F
InChIInChI=1S/C9H8F5N/c10-5-1-2-8(11)6(3-5)7(4-15)9(12,13)14/h1-3,7H,4,15H2
InChIKeyOSCGTWMHAUUSDA-UHFFFAOYSA-N
MW225.16 g/mol
LogP2.57
Rot. Bonds2

About 2-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine

2-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 82534397) has the molecular formula C9H8F5N and a molecular weight of 225.16 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
PubChem CID82534397
Molecular FormulaC9H8F5N
Molecular Weight225.16 g/mol
Exact Mass225.06
IUPAC Name2-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(c1cc(F)ccc1F)C(F)(F)F
InChIInChI=1S/C9H8F5N/c10-5-1-2-8(11)6(3-5)7(4-15)9(12,13)14/h1-3,7H,4,15H2
InChIKeyOSCGTWMHAUUSDA-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

3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 82534391
2-amino-1-(2,5-difluorophenyl)ethanethiol
CID 116868604
2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 82534396
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237
1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 43197844
(1R)-1-(2,5-difluorophenyl)pentane-1,5-diamine
CID 171204239
2-(5-chloro-2-methylphenyl)-3,3,3-trifluoropropan-1-amine
CID 82534388
(1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171204248
(1S)-1-(2,5-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171223814
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
(3R)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol
CID 131518371

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine (CID 82534397) is 2-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine is NCC(c1cc(F)ccc1F)C(F)(F)F.
What is the InChIKey of 2-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is OSCGTWMHAUUSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5N/c10-5-1-2-8(11)6(3-5)7(4-15)9(12,13)14/h1-3,7H,4,15H2.
What are the key properties of 2-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine?
2-(2,5-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-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 82534397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).