4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-amine

C11H15ClFNO — CID 54673464

IUPAC4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-amine
SMILESCONC(CF)CCc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClFNO/c1-15-14-11(8-13)7-4-9-2-5-10(12)6-3-9/h2-3,5-6,11,14H,4,7-8H2,1H3
InChIKeyDBFBPHZEQUAPEB-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.76
Rot. Bonds6

About 4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-amine

4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-amine (PubChem CID 54673464) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-amine
PubChem CID54673464
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-amine
SMILESCONC(CF)CCc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClFNO/c1-15-14-11(8-13)7-4-9-2-5-10(12)6-3-9/h2-3,5-6,11,14H,4,7-8H2,1H3
InChIKeyDBFBPHZEQUAPEB-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-amine (CID 54673464) is 4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-amine is CONC(CF)CCc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-amine?
The InChIKey is DBFBPHZEQUAPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-15-14-11(8-13)7-4-9-2-5-10(12)6-3-9/h2-3,5-6,11,14H,4,7-8H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-amine?
4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-amine has a molecular weight of 231.70 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-amine is sourced from PubChem (CID 54673464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).