2-fluoro-N-[(Z)-3-methylhex-2-en-2-yl]prop-2-en-1-imine

C10H16FN — CID 131982774

IUPAC2-fluoro-N-[(Z)-3-methylhex-2-en-2-yl]prop-2-en-1-imine
SMILESC=C(F)/C=N/C(C)=C(/C)CCC
InChIInChI=1S/C10H16FN/c1-5-6-8(2)10(4)12-7-9(3)11/h7H,3,5-6H2,1-2,4H3/b10-8-,12-7+
InChIKeyDCVNBWUTJYGKGX-GJIIZVESSA-N
MW169.24 g/mol
LogP3.63
Rot. Bonds4

About 2-fluoro-N-[(Z)-3-methylhex-2-en-2-yl]prop-2-en-1-imine

2-fluoro-N-[(Z)-3-methylhex-2-en-2-yl]prop-2-en-1-imine (PubChem CID 131982774) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 2-fluoro-N-[(Z)-3-methylhex-2-en-2-yl]prop-2-en-1-imine.

Molecular Properties

Compound Name2-fluoro-N-[(Z)-3-methylhex-2-en-2-yl]prop-2-en-1-imine
PubChem CID131982774
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name2-fluoro-N-[(Z)-3-methylhex-2-en-2-yl]prop-2-en-1-imine
SMILESC=C(F)/C=N/C(C)=C(/C)CCC
InChIInChI=1S/C10H16FN/c1-5-6-8(2)10(4)12-7-9(3)11/h7H,3,5-6H2,1-2,4H3/b10-8-,12-7+
InChIKeyDCVNBWUTJYGKGX-GJIIZVESSA-N
XLogP3.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 53.63
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 2-fluoro-N-[(Z)-3-methylhex-2-en-2-yl]prop-2-en-1-imine?
The IUPAC name of 2-fluoro-N-[(Z)-3-methylhex-2-en-2-yl]prop-2-en-1-imine (CID 131982774) is 2-fluoro-N-[(Z)-3-methylhex-2-en-2-yl]prop-2-en-1-imine.
What is the SMILES notation for 2-fluoro-N-[(Z)-3-methylhex-2-en-2-yl]prop-2-en-1-imine?
The canonical SMILES for 2-fluoro-N-[(Z)-3-methylhex-2-en-2-yl]prop-2-en-1-imine is C=C(F)/C=N/C(C)=C(/C)CCC.
What is the InChIKey of 2-fluoro-N-[(Z)-3-methylhex-2-en-2-yl]prop-2-en-1-imine?
The InChIKey is DCVNBWUTJYGKGX-GJIIZVESSA-N. The full InChI is InChI=1S/C10H16FN/c1-5-6-8(2)10(4)12-7-9(3)11/h7H,3,5-6H2,1-2,4H3/b10-8-,12-7+.
What are the key properties of 2-fluoro-N-[(Z)-3-methylhex-2-en-2-yl]prop-2-en-1-imine?
2-fluoro-N-[(Z)-3-methylhex-2-en-2-yl]prop-2-en-1-imine has a molecular weight of 169.24 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(Z)-3-methylhex-2-en-2-yl]prop-2-en-1-imine is sourced from PubChem (CID 131982774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).