2-fluoro-N-[(Z,3R)-3-methylpent-1-enyl]propan-1-imine

C9H16FN — CID 170076014

IUPAC2-fluoro-N-[(Z,3R)-3-methylpent-1-enyl]propan-1-imine
SMILESCC[C@@H](C)/C=C\N=C\C(C)F
InChIInChI=1S/C9H16FN/c1-4-8(2)5-6-11-7-9(3)10/h5-9H,4H2,1-3H3/b6-5-,11-7+/t8-,9?/m1/s1
InChIKeyAOUWDAOWTNIHGZ-HTCMKBSLSA-N
MW157.23 g/mol
LogP2.97
Rot. Bonds4

About 2-fluoro-N-[(Z,3R)-3-methylpent-1-enyl]propan-1-imine

2-fluoro-N-[(Z,3R)-3-methylpent-1-enyl]propan-1-imine (PubChem CID 170076014) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 2-fluoro-N-[(Z,3R)-3-methylpent-1-enyl]propan-1-imine.

Molecular Properties

Compound Name2-fluoro-N-[(Z,3R)-3-methylpent-1-enyl]propan-1-imine
PubChem CID170076014
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name2-fluoro-N-[(Z,3R)-3-methylpent-1-enyl]propan-1-imine
SMILESCC[C@@H](C)/C=C\N=C\C(C)F
InChIInChI=1S/C9H16FN/c1-4-8(2)5-6-11-7-9(3)10/h5-9H,4H2,1-3H3/b6-5-,11-7+/t8-,9?/m1/s1
InChIKeyAOUWDAOWTNIHGZ-HTCMKBSLSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.97
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,3R)-3-methylpent-1-enyl]propan-1-imine?
The IUPAC name of 2-fluoro-N-[(Z,3R)-3-methylpent-1-enyl]propan-1-imine (CID 170076014) is 2-fluoro-N-[(Z,3R)-3-methylpent-1-enyl]propan-1-imine.
What is the SMILES notation for 2-fluoro-N-[(Z,3R)-3-methylpent-1-enyl]propan-1-imine?
The canonical SMILES for 2-fluoro-N-[(Z,3R)-3-methylpent-1-enyl]propan-1-imine is CC[C@@H](C)/C=C\N=C\C(C)F.
What is the InChIKey of 2-fluoro-N-[(Z,3R)-3-methylpent-1-enyl]propan-1-imine?
The InChIKey is AOUWDAOWTNIHGZ-HTCMKBSLSA-N. The full InChI is InChI=1S/C9H16FN/c1-4-8(2)5-6-11-7-9(3)10/h5-9H,4H2,1-3H3/b6-5-,11-7+/t8-,9?/m1/s1.
What are the key properties of 2-fluoro-N-[(Z,3R)-3-methylpent-1-enyl]propan-1-imine?
2-fluoro-N-[(Z,3R)-3-methylpent-1-enyl]propan-1-imine has a molecular weight of 157.23 g/mol, XLogP of 2.97, 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,3R)-3-methylpent-1-enyl]propan-1-imine is sourced from PubChem (CID 170076014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).