(Z)-N-ethenyl-2-(2-fluoropropan-2-yl)-2-methylpent-3-en-1-imine

C11H18FN — CID 142605613

IUPAC(Z)-N-ethenyl-2-(2-fluoropropan-2-yl)-2-methylpent-3-en-1-imine
SMILESC=C/N=C/C(C)(/C=C\C)C(C)(C)F
InChIInChI=1S/C11H18FN/c1-6-8-11(5,9-13-7-2)10(3,4)12/h6-9H,2H2,1,3-5H3/b8-6-,13-9+
InChIKeyLDWCNIDTBRVDJW-NGRYOTTMSA-N
MW183.27 g/mol
LogP3.53
Rot. Bonds4

About (Z)-N-ethenyl-2-(2-fluoropropan-2-yl)-2-methylpent-3-en-1-imine

(Z)-N-ethenyl-2-(2-fluoropropan-2-yl)-2-methylpent-3-en-1-imine (PubChem CID 142605613) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (Z)-N-ethenyl-2-(2-fluoropropan-2-yl)-2-methylpent-3-en-1-imine.

Molecular Properties

Compound Name(Z)-N-ethenyl-2-(2-fluoropropan-2-yl)-2-methylpent-3-en-1-imine
PubChem CID142605613
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(Z)-N-ethenyl-2-(2-fluoropropan-2-yl)-2-methylpent-3-en-1-imine
SMILESC=C/N=C/C(C)(/C=C\C)C(C)(C)F
InChIInChI=1S/C11H18FN/c1-6-8-11(5,9-13-7-2)10(3,4)12/h6-9H,2H2,1,3-5H3/b8-6-,13-9+
InChIKeyLDWCNIDTBRVDJW-NGRYOTTMSA-N
XLogP3.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Fluoropropan-2-yl)-3-methylazepine
CID 138721121
(4Z,7Z)-3-fluoro-3,6-dimethyl-6-propan-2-ylazocine
CID 153596987
(2R,3E)-2-ethyl-N-(4-fluoropent-1-en-2-yl)-2-methylhepta-3,6-dien-1-imine
CID 166755575
(7Z)-3-fluoro-3,6-dimethyl-6-propan-2-ylazocine
CID 174177002
N-[(1Z,4Z)-6-fluoro-3-methyl-3-propan-2-ylhexa-1,4-dienyl]propan-1-imine
CID 178088574
3,3,4,4,6-Pentamethylpyridine
CID 67362875
5-Tert-butyl-3,3-dimethylazepine
CID 89070578
(Z)-2,2-dimethyl-N-[(E)-prop-1-enyl]hex-3-en-1-imine
CID 89312021
(Z)-N-(4,4-dimethylpent-1-enyl)-2-methylbut-2-en-1-imine
CID 91402132
3-Methyl-3-propan-2-ylazepine
CID 123434984
4,6-Dimethyl-4-propan-2-ylazepine
CID 123479535
(Z)-2-tert-butyl-N-ethenylbut-2-en-1-imine
CID 129033764

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-2-(2-fluoropropan-2-yl)-2-methylpent-3-en-1-imine?
The IUPAC name of (Z)-N-ethenyl-2-(2-fluoropropan-2-yl)-2-methylpent-3-en-1-imine (CID 142605613) is (Z)-N-ethenyl-2-(2-fluoropropan-2-yl)-2-methylpent-3-en-1-imine.
What is the SMILES notation for (Z)-N-ethenyl-2-(2-fluoropropan-2-yl)-2-methylpent-3-en-1-imine?
The canonical SMILES for (Z)-N-ethenyl-2-(2-fluoropropan-2-yl)-2-methylpent-3-en-1-imine is C=C/N=C/C(C)(/C=C\C)C(C)(C)F.
What is the InChIKey of (Z)-N-ethenyl-2-(2-fluoropropan-2-yl)-2-methylpent-3-en-1-imine?
The InChIKey is LDWCNIDTBRVDJW-NGRYOTTMSA-N. The full InChI is InChI=1S/C11H18FN/c1-6-8-11(5,9-13-7-2)10(3,4)12/h6-9H,2H2,1,3-5H3/b8-6-,13-9+.
What are the key properties of (Z)-N-ethenyl-2-(2-fluoropropan-2-yl)-2-methylpent-3-en-1-imine?
(Z)-N-ethenyl-2-(2-fluoropropan-2-yl)-2-methylpent-3-en-1-imine has a molecular weight of 183.27 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-2-(2-fluoropropan-2-yl)-2-methylpent-3-en-1-imine is sourced from PubChem (CID 142605613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).