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

C9H8F5N — CID 43197844

IUPAC1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)c1cc(F)ccc1F
InChIInChI=1S/C9H8F5N/c10-5-1-2-7(11)6(3-5)8(15)4-9(12,13)14/h1-3,8H,4,15H2
InChIKeyMKWUJPAEMYRZNS-UHFFFAOYSA-N
MW225.16 g/mol
LogP2.92
Rot. Bonds2

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

1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 43197844) has the molecular formula C9H8F5N and a molecular weight of 225.16 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
PubChem CID43197844
Molecular FormulaC9H8F5N
Molecular Weight225.16 g/mol
Exact Mass225.06
IUPAC Name1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)c1cc(F)ccc1F
InChIInChI=1S/C9H8F5N/c10-5-1-2-7(11)6(3-5)8(15)4-9(12,13)14/h1-3,8H,4,15H2
InChIKeyMKWUJPAEMYRZNS-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171204248
(1R)-1-(5-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171202089
(1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 103694276
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 62790723
1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine
CID 116933552
3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
CID 62790891
(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171209536
1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103693361
(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine
CID 171216239
(1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine
CID 103693865
(1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103694258
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine (CID 43197844) is 1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine is NC(CC(F)(F)F)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is MKWUJPAEMYRZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5N/c10-5-1-2-7(11)6(3-5)8(15)4-9(12,13)14/h1-3,8H,4,15H2.
What are the key properties of 1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine?
1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 225.16 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 43197844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).