(1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine

C8H6F5N — CID 130612107

IUPAC(1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine
SMILESN[C@H](c1cc(F)cc(F)c1F)C(F)F
InChIInChI=1S/C8H6F5N/c9-3-1-4(7(14)8(12)13)6(11)5(10)2-3/h1-2,7-8H,14H2/t7-/m1/s1
InChIKeyBTTPCBUORMJHIO-SSDOTTSWSA-N
MW211.13 g/mol
LogP2.37
Rot. Bonds2

About (1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine

(1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine (PubChem CID 130612107) has the molecular formula C8H6F5N and a molecular weight of 211.13 g/mol. Its IUPAC name is (1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine
PubChem CID130612107
Molecular FormulaC8H6F5N
Molecular Weight211.13 g/mol
Exact Mass211.04
IUPAC Name(1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine
SMILESN[C@H](c1cc(F)cc(F)c1F)C(F)F
InChIInChI=1S/C8H6F5N/c9-3-1-4(7(14)8(12)13)6(11)5(10)2-3/h1-2,7-8H,14H2/t7-/m1/s1
InChIKeyBTTPCBUORMJHIO-SSDOTTSWSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.13
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine
CID 131081639
(1S)-3,3-difluoro-1-(2,3,5-trifluorophenyl)propan-1-amine
CID 131336328
1-(2,3,5-trifluorophenyl)propane-1,3-diamine
CID 130900225
(1S)-3,3-difluoro-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride
CID 171313036
(1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine
CID 28973274
(1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine
CID 131505705
(1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine
CID 55278217
(1S,2R)-1-amino-1-(2,3,5-trifluorophenyl)pentan-2-ol;hydrochloride
CID 171268186
(1S,2R)-2-amino-1-cyclopentyl-2-(2,3,5-trifluorophenyl)ethanol;hydrochloride
CID 171262501
(1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride
CID 171248131
(1S,2R)-1-amino-5-methyl-1-(2,3,5-trifluorophenyl)hexan-2-ol;hydrochloride
CID 171268190
ethyl (3R)-3-amino-2-fluoro-3-(2,3,5-trifluorophenyl)propanoate
CID 171241412

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine?
The IUPAC name of (1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine (CID 130612107) is (1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine.
What is the SMILES notation for (1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine?
The canonical SMILES for (1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine is N[C@H](c1cc(F)cc(F)c1F)C(F)F.
What is the InChIKey of (1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine?
The InChIKey is BTTPCBUORMJHIO-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H6F5N/c9-3-1-4(7(14)8(12)13)6(11)5(10)2-3/h1-2,7-8H,14H2/t7-/m1/s1.
What are the key properties of (1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine?
(1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine has a molecular weight of 211.13 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 130612107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).