(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine

C8H12FN — CID 144685434

IUPAC(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine
SMILESC=C(F)/C=C\C(=C)CCN
InChIInChI=1S/C8H12FN/c1-7(5-6-10)3-4-8(2)9/h3-4H,1-2,5-6,10H2/b4-3-
InChIKeyXXUFJVCPTXTZPT-ARJAWSKDSA-N
MW141.19 g/mol
LogP1.93
Rot. Bonds4

About (4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine

(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine (PubChem CID 144685434) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine
PubChem CID144685434
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine
SMILESC=C(F)/C=C\C(=C)CCN
InChIInChI=1S/C8H12FN/c1-7(5-6-10)3-4-8(2)9/h3-4H,1-2,5-6,10H2/b4-3-
InChIKeyXXUFJVCPTXTZPT-ARJAWSKDSA-N
XLogP1.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine
CID 144685433
(3Z)-2-fluoro-5-methylidenedeca-1,3-diene
CID 143276668
ethyl (5Z)-7-fluoro-4-methylideneocta-5,7-dienoate
CID 166152910
2-fluorobuta-1,3-diene;3-methylbut-3-en-1-amine
CID 144685444
5-fluoro-2-methylidenehexa-3,5-dienenitrile
CID 123637801
(3Z,7E)-7-fluoro-2,5,6-trimethylidenedeca-3,7,9-trien-1-amine
CID 163300539
(2Z)-4-fluoropenta-2,4-dien-1-ol
CID 147076442
(2E,4Z)-1,6-difluorohepta-2,4,6-trien-3-ol
CID 88877969
ethane;(Z)-4-methylidenehept-5-en-1-amine;molecular hydrogen
CID 143258830
3-aminopropanoyl fluoride
CID 141326128
(2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine
CID 144654304
(3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene
CID 164594672

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine?
The IUPAC name of (4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine (CID 144685434) is (4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine.
What is the SMILES notation for (4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine?
The canonical SMILES for (4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine is C=C(F)/C=C\C(=C)CCN.
What is the InChIKey of (4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine?
The InChIKey is XXUFJVCPTXTZPT-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H12FN/c1-7(5-6-10)3-4-8(2)9/h3-4H,1-2,5-6,10H2/b4-3-.
What are the key properties of (4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine?
(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine is sourced from PubChem (CID 144685434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).