2,2-difluoro-1-phenyl-N-propan-2-ylpentan-1-imine

C14H19F2N — CID 101419532

IUPAC2,2-difluoro-1-phenyl-N-propan-2-ylpentan-1-imine
SMILESCCCC(F)(F)/C(=N/C(C)C)c1ccccc1
InChIInChI=1S/C14H19F2N/c1-4-10-14(15,16)13(17-11(2)3)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3/b17-13+
InChIKeyNAGCTTOJBYNFMG-GHRIWEEISA-N
MW239.31 g/mol
LogP4.32
Rot. Bonds5

About 2,2-difluoro-1-phenyl-N-propan-2-ylpentan-1-imine

2,2-difluoro-1-phenyl-N-propan-2-ylpentan-1-imine (PubChem CID 101419532) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 2,2-difluoro-1-phenyl-N-propan-2-ylpentan-1-imine.

Molecular Properties

Compound Name2,2-difluoro-1-phenyl-N-propan-2-ylpentan-1-imine
PubChem CID101419532
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2,2-difluoro-1-phenyl-N-propan-2-ylpentan-1-imine
SMILESCCCC(F)(F)/C(=N/C(C)C)c1ccccc1
InChIInChI=1S/C14H19F2N/c1-4-10-14(15,16)13(17-11(2)3)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3/b17-13+
InChIKeyNAGCTTOJBYNFMG-GHRIWEEISA-N
XLogP4.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-phenyl-N-propan-2-ylpentan-1-imine?
The IUPAC name of 2,2-difluoro-1-phenyl-N-propan-2-ylpentan-1-imine (CID 101419532) is 2,2-difluoro-1-phenyl-N-propan-2-ylpentan-1-imine.
What is the SMILES notation for 2,2-difluoro-1-phenyl-N-propan-2-ylpentan-1-imine?
The canonical SMILES for 2,2-difluoro-1-phenyl-N-propan-2-ylpentan-1-imine is CCCC(F)(F)/C(=N/C(C)C)c1ccccc1.
What is the InChIKey of 2,2-difluoro-1-phenyl-N-propan-2-ylpentan-1-imine?
The InChIKey is NAGCTTOJBYNFMG-GHRIWEEISA-N. The full InChI is InChI=1S/C14H19F2N/c1-4-10-14(15,16)13(17-11(2)3)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3/b17-13+.
What are the key properties of 2,2-difluoro-1-phenyl-N-propan-2-ylpentan-1-imine?
2,2-difluoro-1-phenyl-N-propan-2-ylpentan-1-imine has a molecular weight of 239.31 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-phenyl-N-propan-2-ylpentan-1-imine is sourced from PubChem (CID 101419532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).