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

C8H6Cl3F2N — CID 130975304

IUPAC(1R)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine
SMILESN[C@H](c1cc(Cl)cc(Cl)c1Cl)C(F)F
InChIInChI=1S/C8H6Cl3F2N/c9-3-1-4(7(14)8(12)13)6(11)5(10)2-3/h1-2,7-8H,14H2/t7-/m1/s1
InChIKeyYOTLJERAWJWHQV-SSDOTTSWSA-N
MW260.50 g/mol
LogP3.91
Rot. Bonds2

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

(1R)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine (PubChem CID 130975304) has the molecular formula C8H6Cl3F2N and a molecular weight of 260.50 g/mol. Its IUPAC name is (1R)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine
PubChem CID130975304
Molecular FormulaC8H6Cl3F2N
Molecular Weight260.50 g/mol
Exact Mass258.95
IUPAC Name(1R)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine
SMILESN[C@H](c1cc(Cl)cc(Cl)c1Cl)C(F)F
InChIInChI=1S/C8H6Cl3F2N/c9-3-1-4(7(14)8(12)13)6(11)5(10)2-3/h1-2,7-8H,14H2/t7-/m1/s1
InChIKeyYOTLJERAWJWHQV-SSDOTTSWSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.50
LogP ≤ 53.91
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)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine;hydrochloride
CID 171251000
1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol
CID 130060995
(2S,3S)-3-amino-1,1,1-trifluoro-3-(2,3,5-trichlorophenyl)propan-2-ol
CID 171270878
(1S)-1-(2,3,5-trichlorophenyl)ethanamine;hydrochloride
CID 171233500
(1S,2R)-1-amino-1-(2,3,5-trichlorophenyl)butan-2-ol
CID 131404134
(1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol
CID 171265211
(1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol;hydrochloride
CID 171265212
2-[(1S)-1-amino-2,2-difluoroethyl]-4-chloro-6-fluorophenol
CID 130817305
1-(1-bromoethyl)-2,3,5-trichlorobenzene
CID 174746168
(1S)-1-(3,5-dichlorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 171247214
(R)-oxan-4-yl-(2,3,5-trichlorophenyl)methanamine
CID 171251001
bis(2,4,6-trichlorophenyl)methanamine
CID 139635169

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine?
The IUPAC name of (1R)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine (CID 130975304) is (1R)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine.
What is the SMILES notation for (1R)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine?
The canonical SMILES for (1R)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine is N[C@H](c1cc(Cl)cc(Cl)c1Cl)C(F)F.
What is the InChIKey of (1R)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine?
The InChIKey is YOTLJERAWJWHQV-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H6Cl3F2N/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-trichlorophenyl)ethanamine?
(1R)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine has a molecular weight of 260.50 g/mol, XLogP of 3.91, 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-trichlorophenyl)ethanamine is sourced from PubChem (CID 130975304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).