(1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride

C9H10Cl3F2N — CID 171313585

IUPAC(1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)F)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H9Cl2F2N.ClH/c10-6-1-5(2-7(11)3-6)8(14)4-9(12)13;/h1-3,8-9H,4,14H2;1H/t8-;/m1./s1
InChIKeyWVDCVSTWYUSLBX-DDWIOCJRSA-N
MW276.54 g/mol
LogP4.07
Rot. Bonds3

About (1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride

(1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride (PubChem CID 171313585) has the molecular formula C9H10Cl3F2N and a molecular weight of 276.54 g/mol. Its IUPAC name is (1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
PubChem CID171313585
Molecular FormulaC9H10Cl3F2N
Molecular Weight276.54 g/mol
Exact Mass274.98
IUPAC Name(1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)F)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H9Cl2F2N.ClH/c10-6-1-5(2-7(11)3-6)8(14)4-9(12)13;/h1-3,8-9H,4,14H2;1H/t8-;/m1./s1
InChIKeyWVDCVSTWYUSLBX-DDWIOCJRSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.54
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine
CID 124707721
(1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine
CID 130902077
(1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313945
1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 60788932
(1S)-1-(3,5-dichlorophenyl)-2,2-difluoroethanamine;hydrochloride
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(1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 66517114
(3R)-3-amino-3-(3,5-dichlorophenyl)propan-1-ol;hydrochloride
CID 171202547
4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride
CID 171312952
(1S)-1-(3,5-dichlorophenyl)but-3-en-1-amine;hydrochloride
CID 171222077
(3R)-3-amino-3-(3,5-dichlorophenyl)propanenitrile;hydrochloride
CID 171260377
(1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride
CID 171224143
(1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine
CID 131561553

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride (CID 171313585) is (1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride is Cl.N[C@H](CC(F)F)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride?
The InChIKey is WVDCVSTWYUSLBX-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H9Cl2F2N.ClH/c10-6-1-5(2-7(11)3-6)8(14)4-9(12)13;/h1-3,8-9H,4,14H2;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride?
(1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride has a molecular weight of 276.54 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171313585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).