[(1S)-2-(4-chloro-3-fluorophenyl)cyclohex-2-en-1-yl]methanamine

C13H15ClFN — CID 145406270

IUPAC[(1S)-2-(4-chloro-3-fluorophenyl)cyclohex-2-en-1-yl]methanamine
SMILESNC[C@H]1CCCC=C1c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H15ClFN/c14-12-6-5-9(7-13(12)15)11-4-2-1-3-10(11)8-16/h4-7,10H,1-3,8,16H2/t10-/m1/s1
InChIKeyFINHKKALGYZLIX-SNVBAGLBSA-N
MW239.72 g/mol
LogP3.62
Rot. Bonds2

About [(1S)-2-(4-chloro-3-fluorophenyl)cyclohex-2-en-1-yl]methanamine

[(1S)-2-(4-chloro-3-fluorophenyl)cyclohex-2-en-1-yl]methanamine (PubChem CID 145406270) has the molecular formula C13H15ClFN and a molecular weight of 239.72 g/mol. Its IUPAC name is [(1S)-2-(4-chloro-3-fluorophenyl)cyclohex-2-en-1-yl]methanamine.

Molecular Properties

Compound Name[(1S)-2-(4-chloro-3-fluorophenyl)cyclohex-2-en-1-yl]methanamine
PubChem CID145406270
Molecular FormulaC13H15ClFN
Molecular Weight239.72 g/mol
Exact Mass239.09
IUPAC Name[(1S)-2-(4-chloro-3-fluorophenyl)cyclohex-2-en-1-yl]methanamine
SMILESNC[C@H]1CCCC=C1c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H15ClFN/c14-12-6-5-9(7-13(12)15)11-4-2-1-3-10(11)8-16/h4-7,10H,1-3,8,16H2/t10-/m1/s1
InChIKeyFINHKKALGYZLIX-SNVBAGLBSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.72
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(4-chloro-3-fluorophenyl)cyclohex-2-en-1-yl]methanamine?
The IUPAC name of [(1S)-2-(4-chloro-3-fluorophenyl)cyclohex-2-en-1-yl]methanamine (CID 145406270) is [(1S)-2-(4-chloro-3-fluorophenyl)cyclohex-2-en-1-yl]methanamine.
What is the SMILES notation for [(1S)-2-(4-chloro-3-fluorophenyl)cyclohex-2-en-1-yl]methanamine?
The canonical SMILES for [(1S)-2-(4-chloro-3-fluorophenyl)cyclohex-2-en-1-yl]methanamine is NC[C@H]1CCCC=C1c1ccc(Cl)c(F)c1.
What is the InChIKey of [(1S)-2-(4-chloro-3-fluorophenyl)cyclohex-2-en-1-yl]methanamine?
The InChIKey is FINHKKALGYZLIX-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15ClFN/c14-12-6-5-9(7-13(12)15)11-4-2-1-3-10(11)8-16/h4-7,10H,1-3,8,16H2/t10-/m1/s1.
What are the key properties of [(1S)-2-(4-chloro-3-fluorophenyl)cyclohex-2-en-1-yl]methanamine?
[(1S)-2-(4-chloro-3-fluorophenyl)cyclohex-2-en-1-yl]methanamine has a molecular weight of 239.72 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(4-chloro-3-fluorophenyl)cyclohex-2-en-1-yl]methanamine is sourced from PubChem (CID 145406270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).