(1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine

C9H9Cl2F2N — CID 131456103

IUPAC(1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine
SMILESN[C@H](CC(F)F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2F2N/c10-5-1-2-6(7(11)3-5)8(14)4-9(12)13/h1-3,8-9H,4,14H2/t8-/m1/s1
InChIKeyKQLQYZANYCANJT-MRVPVSSYSA-N
MW240.08 g/mol
LogP3.65
Rot. Bonds3

About (1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine

(1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine (PubChem CID 131456103) has the molecular formula C9H9Cl2F2N and a molecular weight of 240.08 g/mol. Its IUPAC name is (1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine
PubChem CID131456103
Molecular FormulaC9H9Cl2F2N
Molecular Weight240.08 g/mol
Exact Mass239.01
IUPAC Name(1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine
SMILESN[C@H](CC(F)F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2F2N/c10-5-1-2-6(7(11)3-5)8(14)4-9(12)13/h1-3,8-9H,4,14H2/t8-/m1/s1
InChIKeyKQLQYZANYCANJT-MRVPVSSYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.08
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine
CID 131514885
(1S)-1-(2-bromo-4-chlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313001
(1R)-1-(4-chloro-2-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313878
2-[(1R)-1-amino-3,3-difluoropropyl]-4-chloroaniline
CID 171313952
1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028050
(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131303992
(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171212529
(1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313978
(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
CID 171232141
(1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171212560
(4S)-4-amino-4-(2,4-dichlorophenyl)butan-1-ol;hydrochloride
CID 171232170
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine?
The IUPAC name of (1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine (CID 131456103) is (1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine.
What is the SMILES notation for (1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine?
The canonical SMILES for (1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine is N[C@H](CC(F)F)c1ccc(Cl)cc1Cl.
What is the InChIKey of (1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine?
The InChIKey is KQLQYZANYCANJT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9Cl2F2N/c10-5-1-2-6(7(11)3-5)8(14)4-9(12)13/h1-3,8-9H,4,14H2/t8-/m1/s1.
What are the key properties of (1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine?
(1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine has a molecular weight of 240.08 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine is sourced from PubChem (CID 131456103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).