(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine

C11H18FN — CID 170194966

IUPAC(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine
SMILESC/N=C/C=C(\C=C\C(C)F)C(C)C
InChIInChI=1S/C11H18FN/c1-9(2)11(7-8-13-4)6-5-10(3)12/h5-10H,1-4H3/b6-5+,11-7+,13-8+
InChIKeyPVQWAEBBMOVCAO-UARZLGBGSA-N
MW183.27 g/mol
LogP3.18
Rot. Bonds4

About (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine

(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine (PubChem CID 170194966) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine
PubChem CID170194966
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine
SMILESC/N=C/C=C(\C=C\C(C)F)C(C)C
InChIInChI=1S/C11H18FN/c1-9(2)11(7-8-13-4)6-5-10(3)12/h5-10H,1-4H3/b6-5+,11-7+,13-8+
InChIKeyPVQWAEBBMOVCAO-UARZLGBGSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine
CID 89431580
N,3-dimethyl-4-methylidene-6-(trifluoromethyl)octa-2,5,7-trien-1-imine
CID 90705158
7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine
CID 90705914
5,7-difluoro-N-methyl-3-propan-2-ylhepta-3,5-dien-1-imine
CID 91142161
N-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine
CID 123683732
(Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine
CID 129037792
(4E,6Z)-3-methyl-5-(trifluoromethyl)-2,3,8,9-tetrahydroazecine
CID 129171155
N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine
CID 129172083
(2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine
CID 129196363
(2E)-3-ethenyl-2-ethylidene-3-fluoro-N-methylpent-4-en-1-imine
CID 129196407
(2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine
CID 130390089
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine
CID 139444855

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine (CID 170194966) is (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine is C/N=C/C=C(\C=C\C(C)F)C(C)C.
What is the InChIKey of (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine?
The InChIKey is PVQWAEBBMOVCAO-UARZLGBGSA-N. The full InChI is InChI=1S/C11H18FN/c1-9(2)11(7-8-13-4)6-5-10(3)12/h5-10H,1-4H3/b6-5+,11-7+,13-8+.
What are the key properties of (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine?
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine has a molecular weight of 183.27 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine is sourced from PubChem (CID 170194966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).