(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine

C9H11ClFN — CID 58878078

IUPAC(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
SMILESCC[C@@H](N)c1ccc(Cl)cc1F
InChIInChI=1S/C9H11ClFN/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5,9H,2,12H2,1H3/t9-/m1/s1
InChIKeyZFFREDDTLNVWHE-SECBINFHSA-N
MW187.65 g/mol
LogP2.89
Rot. Bonds2

About (1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine

(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine (PubChem CID 58878078) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is (1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
PubChem CID58878078
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
SMILESCC[C@@H](N)c1ccc(Cl)cc1F
InChIInChI=1S/C9H11ClFN/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5,9H,2,12H2,1H3/t9-/m1/s1
InChIKeyZFFREDDTLNVWHE-SECBINFHSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171222464
(1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride
CID 171211834
ethyl (3S)-3-amino-3-(4-chloro-2-fluorophenyl)propanoate
CID 104980074
(1S)-1-(2,5-dichlorophenyl)propan-1-amine
CID 26342063
1-butan-2-yl-4-chloro-2-fluorobenzene
CID 54159004
(1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103694258
(1S)-1-(4-chloro-2-fluorophenyl)pentane-1,5-diamine
CID 171222468
(1S)-1-[4-(difluoromethyl)-2-fluorophenyl]propan-1-amine
CID 131406912
ethyl (3R)-3-amino-3-(4-chloro-2-fluorophenyl)propanoate;hydrochloride
CID 171202939
(1S)-1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 131118917
1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 112693699
(3S)-3-amino-3-(4-chloro-2-fluorophenyl)propanamide
CID 104980078

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine?
The IUPAC name of (1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine (CID 58878078) is (1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine?
The canonical SMILES for (1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine is CC[C@@H](N)c1ccc(Cl)cc1F.
What is the InChIKey of (1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine?
The InChIKey is ZFFREDDTLNVWHE-SECBINFHSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5,9H,2,12H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine?
(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine has a molecular weight of 187.65 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 58878078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).