(1R)-1-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride

C9H10Cl3F2N — CID 171313419

IUPAC(1R)-1-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)F)c1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2F2N.ClH/c10-5-2-1-3-6(11)9(5)7(14)4-8(12)13;/h1-3,7-8H,4,14H2;1H/t7-;/m1./s1
InChIKeyWECFZYMQJIVLJH-OGFXRTJISA-N
MW276.54 g/mol
LogP4.07
Rot. Bonds3

About (1R)-1-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride

(1R)-1-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride (PubChem CID 171313419) has the molecular formula C9H10Cl3F2N and a molecular weight of 276.54 g/mol. Its IUPAC name is (1R)-1-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
PubChem CID171313419
Molecular FormulaC9H10Cl3F2N
Molecular Weight276.54 g/mol
Exact Mass274.98
IUPAC Name(1R)-1-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)F)c1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2F2N.ClH/c10-5-2-1-3-6(11)9(5)7(14)4-8(12)13;/h1-3,7-8H,4,14H2;1H/t7-;/m1./s1
InChIKeyWECFZYMQJIVLJH-OGFXRTJISA-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

(1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313800
(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride
CID 171217423
(1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine
CID 130739555
(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171197929
(1S)-1-(2,6-dichlorophenyl)butan-1-amine;hydrochloride
CID 171217430
(1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171197917
(1S)-1-(2,6-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171217454
2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine
CID 112693518
(1S)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171217426
1-(2,6-dichlorophenyl)butan-1-amine
CID 112693515
(1S)-1-(2,6-dichlorophenyl)butan-1-amine
CID 130714755
(4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride
CID 171217462

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride (CID 171313419) is (1R)-1-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride is Cl.N[C@H](CC(F)F)c1c(Cl)cccc1Cl.
What is the InChIKey of (1R)-1-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride?
The InChIKey is WECFZYMQJIVLJH-OGFXRTJISA-N. The full InChI is InChI=1S/C9H9Cl2F2N.ClH/c10-5-2-1-3-6(11)9(5)7(14)4-8(12)13;/h1-3,7-8H,4,14H2;1H/t7-;/m1./s1.
What are the key properties of (1R)-1-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride?
(1R)-1-(2,6-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-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171313419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).