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

C10H16FN — CID 139444855

IUPAC(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine
SMILESCC(C)/C(=C/C=NC)/C=C/CF
InChIInChI=1S/C10H16FN/c1-9(2)10(5-4-7-11)6-8-12-3/h4-6,8-9H,7H2,1-3H3/b5-4+,10-6+,12-8?
InChIKeyRLDZFZUCVJUQSW-YWFFPLBESA-N
MW169.24 g/mol
LogP2.50
Rot. Bonds4

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

(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine (PubChem CID 139444855) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine
PubChem CID139444855
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine
SMILESCC(C)/C(=C/C=NC)/C=C/CF
InChIInChI=1S/C10H16FN/c1-9(2)10(5-4-7-11)6-8-12-3/h4-6,8-9H,7H2,1-3H3/b5-4+,10-6+,12-8?
InChIKeyRLDZFZUCVJUQSW-YWFFPLBESA-N
XLogP2.50
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity190

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
(Z)-N-[(1Z,3E)-1-fluoro-2,3-dimethylhexa-1,3-dienyl]ethanimine
CID 144279669

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine (CID 139444855) is (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine is CC(C)/C(=C/C=NC)/C=C/CF.
What is the InChIKey of (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine?
The InChIKey is RLDZFZUCVJUQSW-YWFFPLBESA-N. The full InChI is InChI=1S/C10H16FN/c1-9(2)10(5-4-7-11)6-8-12-3/h4-6,8-9H,7H2,1-3H3/b5-4+,10-6+,12-8?.
What are the key properties of (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine?
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine has a molecular weight of 169.24 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine is sourced from PubChem (CID 139444855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).