(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine

C9H10Cl2FN — CID 131303992

IUPAC(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine
SMILESN[C@@H](CCF)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2FN/c10-6-1-2-7(8(11)5-6)9(13)3-4-12/h1-2,5,9H,3-4,13H2/t9-/m0/s1
InChIKeyLVOGAFVOPJVXMV-VIFPVBQESA-N
MW222.09 g/mol
LogP3.35
Rot. Bonds3

About (1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine

(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine (PubChem CID 131303992) has the molecular formula C9H10Cl2FN and a molecular weight of 222.09 g/mol. Its IUPAC name is (1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine
PubChem CID131303992
Molecular FormulaC9H10Cl2FN
Molecular Weight222.09 g/mol
Exact Mass221.02
IUPAC Name(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine
SMILESN[C@@H](CCF)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2FN/c10-6-1-2-7(8(11)5-6)9(13)3-4-12/h1-2,5,9H,3-4,13H2/t9-/m0/s1
InChIKeyLVOGAFVOPJVXMV-VIFPVBQESA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171212529
(1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine
CID 131460461
(1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine
CID 131362641
(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
(1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine
CID 131456103
4-[(1S)-1-amino-3-fluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171232241
1-(2,4-dichlorophenyl)-4-phenoxybutan-1-amine
CID 84752996
6-amino-6-(2,4-dichlorophenyl)hexanamide
CID 61271207
(1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine
CID 131122702
2-[(1R)-1-amino-3-fluoropropyl]-4,6-dichlorophenol;hydrochloride
CID 171197715

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine?
The IUPAC name of (1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine (CID 131303992) is (1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine.
What is the SMILES notation for (1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine?
The canonical SMILES for (1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine is N[C@@H](CCF)c1ccc(Cl)cc1Cl.
What is the InChIKey of (1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine?
The InChIKey is LVOGAFVOPJVXMV-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10Cl2FN/c10-6-1-2-7(8(11)5-6)9(13)3-4-12/h1-2,5,9H,3-4,13H2/t9-/m0/s1.
What are the key properties of (1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine?
(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine has a molecular weight of 222.09 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine is sourced from PubChem (CID 131303992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).