1,1-difluoro-N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine

C9H15F2N — CID 169247511

IUPAC1,1-difluoro-N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine
SMILESCC(=C/C(C)C)/N=C(\C)C(F)F
InChIInChI=1S/C9H15F2N/c1-6(2)5-7(3)12-8(4)9(10)11/h5-6,9H,1-4H3/b7-5-,12-8+
InChIKeyBMBWGYSSVBBMKB-BAIUDDDUSA-N
MW175.22 g/mol
LogP3.27
Rot. Bonds3

About 1,1-difluoro-N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine

1,1-difluoro-N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine (PubChem CID 169247511) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 1,1-difluoro-N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine.

Molecular Properties

Compound Name1,1-difluoro-N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine
PubChem CID169247511
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name1,1-difluoro-N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine
SMILESCC(=C/C(C)C)/N=C(\C)C(F)F
InChIInChI=1S/C9H15F2N/c1-6(2)5-7(3)12-8(4)9(10)11/h5-6,9H,1-4H3/b7-5-,12-8+
InChIKeyBMBWGYSSVBBMKB-BAIUDDDUSA-N
XLogP3.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1-difluoro-N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine?
The IUPAC name of 1,1-difluoro-N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine (CID 169247511) is 1,1-difluoro-N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine.
What is the SMILES notation for 1,1-difluoro-N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine?
The canonical SMILES for 1,1-difluoro-N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine is CC(=C/C(C)C)/N=C(\C)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine?
The InChIKey is BMBWGYSSVBBMKB-BAIUDDDUSA-N. The full InChI is InChI=1S/C9H15F2N/c1-6(2)5-7(3)12-8(4)9(10)11/h5-6,9H,1-4H3/b7-5-,12-8+.
What are the key properties of 1,1-difluoro-N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine?
1,1-difluoro-N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine has a molecular weight of 175.22 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine is sourced from PubChem (CID 169247511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).