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

C7H11FN2 — CID 176936779

IUPAC(3Z)-4-fluoro-N-(methylideneamino)hexa-3,5-dien-3-amine
SMILESC=C/C(F)=C(\CC)NN=C
InChIInChI=1S/C7H11FN2/c1-4-6(8)7(5-2)10-9-3/h4,10H,1,3,5H2,2H3/b7-6-
InChIKeyDNMHKUGHVMTARO-SREVYHEPSA-N
MW142.18 g/mol
LogP1.97
Rot. Bonds4

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

(3Z)-4-fluoro-N-(methylideneamino)hexa-3,5-dien-3-amine (PubChem CID 176936779) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is (3Z)-4-fluoro-N-(methylideneamino)hexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3Z)-4-fluoro-N-(methylideneamino)hexa-3,5-dien-3-amine
PubChem CID176936779
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name(3Z)-4-fluoro-N-(methylideneamino)hexa-3,5-dien-3-amine
SMILESC=C/C(F)=C(\CC)NN=C
InChIInChI=1S/C7H11FN2/c1-4-6(8)7(5-2)10-9-3/h4,10H,1,3,5H2,2H3/b7-6-
InChIKeyDNMHKUGHVMTARO-SREVYHEPSA-N
XLogP1.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-fluoro-N-(methylideneamino)hexa-3,5-dien-3-amine?
The IUPAC name of (3Z)-4-fluoro-N-(methylideneamino)hexa-3,5-dien-3-amine (CID 176936779) is (3Z)-4-fluoro-N-(methylideneamino)hexa-3,5-dien-3-amine.
What is the SMILES notation for (3Z)-4-fluoro-N-(methylideneamino)hexa-3,5-dien-3-amine?
The canonical SMILES for (3Z)-4-fluoro-N-(methylideneamino)hexa-3,5-dien-3-amine is C=C/C(F)=C(\CC)NN=C.
What is the InChIKey of (3Z)-4-fluoro-N-(methylideneamino)hexa-3,5-dien-3-amine?
The InChIKey is DNMHKUGHVMTARO-SREVYHEPSA-N. The full InChI is InChI=1S/C7H11FN2/c1-4-6(8)7(5-2)10-9-3/h4,10H,1,3,5H2,2H3/b7-6-.
What are the key properties of (3Z)-4-fluoro-N-(methylideneamino)hexa-3,5-dien-3-amine?
(3Z)-4-fluoro-N-(methylideneamino)hexa-3,5-dien-3-amine has a molecular weight of 142.18 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-fluoro-N-(methylideneamino)hexa-3,5-dien-3-amine is sourced from PubChem (CID 176936779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).