(1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine

C8H7Cl2F2N — CID 130739555

IUPAC(1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine
SMILESN[C@H](c1c(Cl)cccc1Cl)C(F)F
InChIInChI=1S/C8H7Cl2F2N/c9-4-2-1-3-5(10)6(4)7(13)8(11)12/h1-3,7-8H,13H2/t7-/m1/s1
InChIKeyLARJQAJBXYLMFN-SSDOTTSWSA-N
MW226.05 g/mol
LogP3.26
Rot. Bonds2

About (1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine

(1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine (PubChem CID 130739555) has the molecular formula C8H7Cl2F2N and a molecular weight of 226.05 g/mol. Its IUPAC name is (1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine
PubChem CID130739555
Molecular FormulaC8H7Cl2F2N
Molecular Weight226.05 g/mol
Exact Mass224.99
IUPAC Name(1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine
SMILESN[C@H](c1c(Cl)cccc1Cl)C(F)F
InChIInChI=1S/C8H7Cl2F2N/c9-4-2-1-3-5(10)6(4)7(13)8(11)12/h1-3,7-8H,13H2/t7-/m1/s1
InChIKeyLARJQAJBXYLMFN-SSDOTTSWSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.05
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-chloro-6-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171250005
(1S)-1-(3,6-dichloro-2-fluorophenyl)-2,2-difluoroethanamine
CID 130707442
(1R)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride
CID 171243894
(1R)-1-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313419
(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride
CID 171217423
(1S)-1-(2,6-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171217454
3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine
CID 103759791
(1S)-1-(2,3-dichloro-6-fluorophenyl)-2,2-difluoroethanamine
CID 130607724
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
(1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
CID 171162059
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714
3-chloro-2-[(1S)-1,2-diaminoethyl]phenol
CID 55277698

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine?
The IUPAC name of (1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine (CID 130739555) is (1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine.
What is the SMILES notation for (1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine?
The canonical SMILES for (1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine is N[C@H](c1c(Cl)cccc1Cl)C(F)F.
What is the InChIKey of (1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine?
The InChIKey is LARJQAJBXYLMFN-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H7Cl2F2N/c9-4-2-1-3-5(10)6(4)7(13)8(11)12/h1-3,7-8H,13H2/t7-/m1/s1.
What are the key properties of (1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine?
(1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine has a molecular weight of 226.05 g/mol, XLogP of 3.26, 2 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)-2,2-difluoroethanamine is sourced from PubChem (CID 130739555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).