(3Z)-4-fluoro-N-(3-methylidenepent-4-enyl)hexa-3,5-dien-3-amine

C12H18FN — CID 163906774

IUPAC(3Z)-4-fluoro-N-(3-methylidenepent-4-enyl)hexa-3,5-dien-3-amine
SMILESC=CC(=C)CCN/C(CC)=C(\F)C=C
InChIInChI=1S/C12H18FN/c1-5-10(4)8-9-14-12(7-3)11(13)6-2/h5-6,14H,1-2,4,7-9H2,3H3/b12-11-
InChIKeyQOOWXMLCFQRLKC-QXMHVHEDSA-N
MW195.28 g/mol
LogP3.49
Rot. Bonds7

About (3Z)-4-fluoro-N-(3-methylidenepent-4-enyl)hexa-3,5-dien-3-amine

(3Z)-4-fluoro-N-(3-methylidenepent-4-enyl)hexa-3,5-dien-3-amine (PubChem CID 163906774) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is (3Z)-4-fluoro-N-(3-methylidenepent-4-enyl)hexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3Z)-4-fluoro-N-(3-methylidenepent-4-enyl)hexa-3,5-dien-3-amine
PubChem CID163906774
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name(3Z)-4-fluoro-N-(3-methylidenepent-4-enyl)hexa-3,5-dien-3-amine
SMILESC=CC(=C)CCN/C(CC)=C(\F)C=C
InChIInChI=1S/C12H18FN/c1-5-10(4)8-9-14-12(7-3)11(13)6-2/h5-6,14H,1-2,4,7-9H2,3H3/b12-11-
InChIKeyQOOWXMLCFQRLKC-QXMHVHEDSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-fluoro-N-(3-methylidenepent-4-enyl)hexa-3,5-dien-3-amine?
The IUPAC name of (3Z)-4-fluoro-N-(3-methylidenepent-4-enyl)hexa-3,5-dien-3-amine (CID 163906774) is (3Z)-4-fluoro-N-(3-methylidenepent-4-enyl)hexa-3,5-dien-3-amine.
What is the SMILES notation for (3Z)-4-fluoro-N-(3-methylidenepent-4-enyl)hexa-3,5-dien-3-amine?
The canonical SMILES for (3Z)-4-fluoro-N-(3-methylidenepent-4-enyl)hexa-3,5-dien-3-amine is C=CC(=C)CCN/C(CC)=C(\F)C=C.
What is the InChIKey of (3Z)-4-fluoro-N-(3-methylidenepent-4-enyl)hexa-3,5-dien-3-amine?
The InChIKey is QOOWXMLCFQRLKC-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H18FN/c1-5-10(4)8-9-14-12(7-3)11(13)6-2/h5-6,14H,1-2,4,7-9H2,3H3/b12-11-.
What are the key properties of (3Z)-4-fluoro-N-(3-methylidenepent-4-enyl)hexa-3,5-dien-3-amine?
(3Z)-4-fluoro-N-(3-methylidenepent-4-enyl)hexa-3,5-dien-3-amine has a molecular weight of 195.28 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-fluoro-N-(3-methylidenepent-4-enyl)hexa-3,5-dien-3-amine is sourced from PubChem (CID 163906774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).