(3Z)-N-fluoro-5-methylidenehepta-1,3-dien-2-amine

C8H12FN — CID 143607824

IUPAC(3Z)-N-fluoro-5-methylidenehepta-1,3-dien-2-amine
SMILESC=C(/C=C\C(=C)NF)CC
InChIInChI=1S/C8H12FN/c1-4-7(2)5-6-8(3)10-9/h5-6,10H,2-4H2,1H3/b6-5-
InChIKeyBVWHDIZNIUJTSB-WAYWQWQTSA-N
MW141.19 g/mol
LogP2.50
Rot. Bonds4

About (3Z)-N-fluoro-5-methylidenehepta-1,3-dien-2-amine

(3Z)-N-fluoro-5-methylidenehepta-1,3-dien-2-amine (PubChem CID 143607824) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (3Z)-N-fluoro-5-methylidenehepta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-fluoro-5-methylidenehepta-1,3-dien-2-amine
PubChem CID143607824
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(3Z)-N-fluoro-5-methylidenehepta-1,3-dien-2-amine
SMILESC=C(/C=C\C(=C)NF)CC
InChIInChI=1S/C8H12FN/c1-4-7(2)5-6-8(3)10-9/h5-6,10H,2-4H2,1H3/b6-5-
InChIKeyBVWHDIZNIUJTSB-WAYWQWQTSA-N
XLogP2.50
TPSA12.03 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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-fluoro-5-methylidenehepta-1,3-dien-2-amine?
The IUPAC name of (3Z)-N-fluoro-5-methylidenehepta-1,3-dien-2-amine (CID 143607824) is (3Z)-N-fluoro-5-methylidenehepta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N-fluoro-5-methylidenehepta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N-fluoro-5-methylidenehepta-1,3-dien-2-amine is C=C(/C=C\C(=C)NF)CC.
What is the InChIKey of (3Z)-N-fluoro-5-methylidenehepta-1,3-dien-2-amine?
The InChIKey is BVWHDIZNIUJTSB-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H12FN/c1-4-7(2)5-6-8(3)10-9/h5-6,10H,2-4H2,1H3/b6-5-.
What are the key properties of (3Z)-N-fluoro-5-methylidenehepta-1,3-dien-2-amine?
(3Z)-N-fluoro-5-methylidenehepta-1,3-dien-2-amine has a molecular weight of 141.19 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-fluoro-5-methylidenehepta-1,3-dien-2-amine is sourced from PubChem (CID 143607824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).