1-[(2,4-difluorophenyl)methylideneamino]-4-methylpentan-1-ol

C13H17F2NO — CID 151142509

IUPAC1-[(2,4-difluorophenyl)methylideneamino]-4-methylpentan-1-ol
SMILESCC(C)CCC(O)N=Cc1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO/c1-9(2)3-6-13(17)16-8-10-4-5-11(14)7-12(10)15/h4-5,7-9,13,17H,3,6H2,1-2H3
InChIKeyMWMNPVNWLLPBCL-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.14
Rot. Bonds5

About 1-[(2,4-difluorophenyl)methylideneamino]-4-methylpentan-1-ol

1-[(2,4-difluorophenyl)methylideneamino]-4-methylpentan-1-ol (PubChem CID 151142509) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methylideneamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methylideneamino]-4-methylpentan-1-ol
PubChem CID151142509
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-[(2,4-difluorophenyl)methylideneamino]-4-methylpentan-1-ol
SMILESCC(C)CCC(O)N=Cc1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO/c1-9(2)3-6-13(17)16-8-10-4-5-11(14)7-12(10)15/h4-5,7-9,13,17H,3,6H2,1-2H3
InChIKeyMWMNPVNWLLPBCL-UHFFFAOYSA-N
XLogP3.14
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methylideneamino]-4-methylpentan-1-ol?
The IUPAC name of 1-[(2,4-difluorophenyl)methylideneamino]-4-methylpentan-1-ol (CID 151142509) is 1-[(2,4-difluorophenyl)methylideneamino]-4-methylpentan-1-ol.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methylideneamino]-4-methylpentan-1-ol?
The canonical SMILES for 1-[(2,4-difluorophenyl)methylideneamino]-4-methylpentan-1-ol is CC(C)CCC(O)N=Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methylideneamino]-4-methylpentan-1-ol?
The InChIKey is MWMNPVNWLLPBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-9(2)3-6-13(17)16-8-10-4-5-11(14)7-12(10)15/h4-5,7-9,13,17H,3,6H2,1-2H3.
What are the key properties of 1-[(2,4-difluorophenyl)methylideneamino]-4-methylpentan-1-ol?
1-[(2,4-difluorophenyl)methylideneamino]-4-methylpentan-1-ol has a molecular weight of 241.28 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methylideneamino]-4-methylpentan-1-ol is sourced from PubChem (CID 151142509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).