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

C8H12FN — CID 143596390

IUPAC(3Z)-5-fluoro-N-methyl-2-methylidenehexa-3,5-dien-1-amine
SMILESC=C(F)/C=C\C(=C)CNC
InChIInChI=1S/C8H12FN/c1-7(6-10-3)4-5-8(2)9/h4-5,10H,1-2,6H2,3H3/b5-4-
InChIKeyTYXZREQNTRQPAF-PLNGDYQASA-N
MW141.19 g/mol
LogP1.80
Rot. Bonds4

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

(3Z)-5-fluoro-N-methyl-2-methylidenehexa-3,5-dien-1-amine (PubChem CID 143596390) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (3Z)-5-fluoro-N-methyl-2-methylidenehexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-5-fluoro-N-methyl-2-methylidenehexa-3,5-dien-1-amine
PubChem CID143596390
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(3Z)-5-fluoro-N-methyl-2-methylidenehexa-3,5-dien-1-amine
SMILESC=C(F)/C=C\C(=C)CNC
InChIInChI=1S/C8H12FN/c1-7(6-10-3)4-5-8(2)9/h4-5,10H,1-2,6H2,3H3/b5-4-
InChIKeyTYXZREQNTRQPAF-PLNGDYQASA-N
XLogP1.80
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 ≤ 51.80
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

1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(2E,4E)-5-fluoro-4-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 88267041
(3Z,5E)-6-fluoro-N,2-dimethylocta-3,5,7-trien-1-amine
CID 88267348
(E)-4-fluoro-2-methylidenehex-3-en-1-amine
CID 88557724
(3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)pyrrolidine
CID 88957760
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 89084822
(Z)-5-fluoro-2-methylidenehept-3-en-1-amine
CID 89090828
1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 89097623
(E)-2-ethenyl-5-fluorohex-2-en-1-amine
CID 89126655
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-fluoro-N-methyl-2-methylidenehexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-5-fluoro-N-methyl-2-methylidenehexa-3,5-dien-1-amine (CID 143596390) is (3Z)-5-fluoro-N-methyl-2-methylidenehexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-5-fluoro-N-methyl-2-methylidenehexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-5-fluoro-N-methyl-2-methylidenehexa-3,5-dien-1-amine is C=C(F)/C=C\C(=C)CNC.
What is the InChIKey of (3Z)-5-fluoro-N-methyl-2-methylidenehexa-3,5-dien-1-amine?
The InChIKey is TYXZREQNTRQPAF-PLNGDYQASA-N. The full InChI is InChI=1S/C8H12FN/c1-7(6-10-3)4-5-8(2)9/h4-5,10H,1-2,6H2,3H3/b5-4-.
What are the key properties of (3Z)-5-fluoro-N-methyl-2-methylidenehexa-3,5-dien-1-amine?
(3Z)-5-fluoro-N-methyl-2-methylidenehexa-3,5-dien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-N-methyl-2-methylidenehexa-3,5-dien-1-amine is sourced from PubChem (CID 143596390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).