N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine

C8H13FN2 — CID 143671711

IUPACN'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine
SMILESC=C(F)/C=C\C(=C)CNCN
InChIInChI=1S/C8H13FN2/c1-7(5-11-6-10)3-4-8(2)9/h3-4,11H,1-2,5-6,10H2/b4-3-
InChIKeyUTRHSPQUEKVKHR-ARJAWSKDSA-N
MW156.20 g/mol
LogP1.09
Rot. Bonds5

About N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine

N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine (PubChem CID 143671711) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine.

Molecular Properties

Compound NameN'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine
PubChem CID143671711
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC NameN'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine
SMILESC=C(F)/C=C\C(=C)CNCN
InChIInChI=1S/C8H13FN2/c1-7(5-11-6-10)3-4-8(2)9/h3-4,11H,1-2,5-6,10H2/b4-3-
InChIKeyUTRHSPQUEKVKHR-ARJAWSKDSA-N
XLogP1.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
N'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine
CID 89473310
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312
4-(Fluoromethyl)-1-methyl-2,7-dihydroazepin-2-amine
CID 132157830
(2E)-2-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1-N'-(trifluoromethyl)hexa-2,4-diene-1,1-diamine
CID 134549736
3-[(3E,5Z)-3-[(Z)-2-amino-1-fluoroethenyl]-4-fluorohepta-1,3,5-trienyl]-5-(aminomethyl)-1,2-dihydropyridin-6-amine
CID 138718899
[(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea
CID 142108318
1-(5-fluorocyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine
CID 142987847
(3Z)-5-fluoro-N-methyl-2-methylidenehexa-3,5-dien-1-amine
CID 143596390
1-N'-[(2E,3E,5E)-3,5-difluoro-2-propylidenehepta-3,5-dienyl]ethene-1,1-diamine
CID 155728285
N-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine
CID 163595306
1-N'-[(2Z,4Z)-4,5-difluoro-6-methylhepta-2,4,6-trienyl]-1-N-methylethane-1,1-diamine
CID 166888907

Frequently Asked Questions

What is the IUPAC name of N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine?
The IUPAC name of N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine (CID 143671711) is N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine.
What is the SMILES notation for N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine?
The canonical SMILES for N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine is C=C(F)/C=C\C(=C)CNCN.
What is the InChIKey of N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine?
The InChIKey is UTRHSPQUEKVKHR-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H13FN2/c1-7(5-11-6-10)3-4-8(2)9/h3-4,11H,1-2,5-6,10H2/b4-3-.
What are the key properties of N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine?
N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine has a molecular weight of 156.20 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine is sourced from PubChem (CID 143671711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).