(1R)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride

C8H7Cl4F2N — CID 171243894

IUPAC(1R)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride
SMILESCl.N[C@H](c1c(Cl)ccc(Cl)c1Cl)C(F)F
InChIInChI=1S/C8H6Cl3F2N.ClH/c9-3-1-2-4(10)6(11)5(3)7(14)8(12)13;/h1-2,7-8H,14H2;1H/t7-;/m1./s1
InChIKeySECJGHNPRNDUOM-OGFXRTJISA-N
MW296.96 g/mol
LogP4.33
Rot. Bonds2

About (1R)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride

(1R)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride (PubChem CID 171243894) has the molecular formula C8H7Cl4F2N and a molecular weight of 296.96 g/mol. Its IUPAC name is (1R)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride
PubChem CID171243894
Molecular FormulaC8H7Cl4F2N
Molecular Weight296.96 g/mol
Exact Mass294.93
IUPAC Name(1R)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride
SMILESCl.N[C@H](c1c(Cl)ccc(Cl)c1Cl)C(F)F
InChIInChI=1S/C8H6Cl3F2N.ClH/c9-3-1-2-4(10)6(11)5(3)7(14)8(12)13;/h1-2,7-8H,14H2;1H/t7-;/m1./s1
InChIKeySECJGHNPRNDUOM-OGFXRTJISA-N
XLogP4.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.96
LogP ≤ 54.33
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)-1-(2,3-dichloro-6-fluorophenyl)-2,2-difluoroethanamine
CID 130607724
(1S)-1-(3,6-dichloro-2-fluorophenyl)-2,2-difluoroethanamine
CID 130707442
(1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine
CID 130739555
(1R)-2,2,2-trifluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride
CID 171243893
(1R)-1-(2,3,6-trichlorophenyl)ethane-1,2-diamine
CID 130714145
6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-dichlorophenol;hydrochloride
CID 171257341
(1S)-1-(2-chloro-6-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171250005
(1S,2R)-1-amino-1-(2,3,6-trichlorophenyl)pentan-2-ol;hydrochloride
CID 171270455
(1R,2S)-1-amino-3,3-dimethyl-1-(2,3,6-trichlorophenyl)butan-2-ol
CID 171264774
(1S,2R)-1-amino-3,3-dimethyl-1-(2,3,6-trichlorophenyl)butan-2-ol
CID 171270448
2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride
CID 171255857
(1S)-1-(2,3,6-trichlorophenyl)propan-1-amine;hydrochloride
CID 171232376

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride (CID 171243894) is (1R)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride is Cl.N[C@H](c1c(Cl)ccc(Cl)c1Cl)C(F)F.
What is the InChIKey of (1R)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride?
The InChIKey is SECJGHNPRNDUOM-OGFXRTJISA-N. The full InChI is InChI=1S/C8H6Cl3F2N.ClH/c9-3-1-2-4(10)6(11)5(3)7(14)8(12)13;/h1-2,7-8H,14H2;1H/t7-;/m1./s1.
What are the key properties of (1R)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride?
(1R)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride has a molecular weight of 296.96 g/mol, XLogP of 4.33, 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-(2,3,6-trichlorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171243894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).