(3Z)-4-fluoro-5-methylidene-N-methylsulfanylhepta-1,3-dien-3-amine

C9H14FNS — CID 145395284

IUPAC(3Z)-4-fluoro-5-methylidene-N-methylsulfanylhepta-1,3-dien-3-amine
SMILESC=C/C(NSC)=C(/F)C(=C)CC
InChIInChI=1S/C9H14FNS/c1-5-7(3)9(10)8(6-2)11-12-4/h6,11H,2-3,5H2,1,4H3/b9-8-
InChIKeyGHTSGNBIMWRTFB-HJWRWDBZSA-N
MW187.28 g/mol
LogP3.19
Rot. Bonds5

About (3Z)-4-fluoro-5-methylidene-N-methylsulfanylhepta-1,3-dien-3-amine

(3Z)-4-fluoro-5-methylidene-N-methylsulfanylhepta-1,3-dien-3-amine (PubChem CID 145395284) has the molecular formula C9H14FNS and a molecular weight of 187.28 g/mol. Its IUPAC name is (3Z)-4-fluoro-5-methylidene-N-methylsulfanylhepta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3Z)-4-fluoro-5-methylidene-N-methylsulfanylhepta-1,3-dien-3-amine
PubChem CID145395284
Molecular FormulaC9H14FNS
Molecular Weight187.28 g/mol
Exact Mass187.08
IUPAC Name(3Z)-4-fluoro-5-methylidene-N-methylsulfanylhepta-1,3-dien-3-amine
SMILESC=C/C(NSC)=C(/F)C(=C)CC
InChIInChI=1S/C9H14FNS/c1-5-7(3)9(10)8(6-2)11-12-4/h6,11H,2-3,5H2,1,4H3/b9-8-
InChIKeyGHTSGNBIMWRTFB-HJWRWDBZSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

ethane;(3Z)-4-fluoro-5-methylidene-N-methylsulfanylhepta-1,3-dien-3-amine
CID 145395283
(3Z)-2-fluoro-4-methyl-5-methylidenehepta-1,3-diene
CID 169164324
3-methylidene-N-prop-2-enylpent-1-en-2-amine
CID 143353048
(3Z)-4-ethyl-2-fluorohexa-1,3,5-triene
CID 142052803
3-methylidenepent-1-ene
CID 18850
N-ethenyl-2-methylidenebutanamide
CID 151420666
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
(3E)-4-methoxy-5-methylidenehepta-1,3-diene
CID 169163685
5-methyl-6,7-dimethylidenenon-1-ene
CID 142109737
(3E,6E)-6-fluoro-4-methyl-N-prop-1-en-2-ylocta-1,3,6-trien-3-amine
CID 142817615
2-fluorobuta-1,3-diene
CID 551655
(E)-5-fluoro-4,7,10-trimethyl-3,6-dimethylidenetridec-4-ene;propane
CID 145312710

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-fluoro-5-methylidene-N-methylsulfanylhepta-1,3-dien-3-amine?
The IUPAC name of (3Z)-4-fluoro-5-methylidene-N-methylsulfanylhepta-1,3-dien-3-amine (CID 145395284) is (3Z)-4-fluoro-5-methylidene-N-methylsulfanylhepta-1,3-dien-3-amine.
What is the SMILES notation for (3Z)-4-fluoro-5-methylidene-N-methylsulfanylhepta-1,3-dien-3-amine?
The canonical SMILES for (3Z)-4-fluoro-5-methylidene-N-methylsulfanylhepta-1,3-dien-3-amine is C=C/C(NSC)=C(/F)C(=C)CC.
What is the InChIKey of (3Z)-4-fluoro-5-methylidene-N-methylsulfanylhepta-1,3-dien-3-amine?
The InChIKey is GHTSGNBIMWRTFB-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H14FNS/c1-5-7(3)9(10)8(6-2)11-12-4/h6,11H,2-3,5H2,1,4H3/b9-8-.
What are the key properties of (3Z)-4-fluoro-5-methylidene-N-methylsulfanylhepta-1,3-dien-3-amine?
(3Z)-4-fluoro-5-methylidene-N-methylsulfanylhepta-1,3-dien-3-amine has a molecular weight of 187.28 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-fluoro-5-methylidene-N-methylsulfanylhepta-1,3-dien-3-amine is sourced from PubChem (CID 145395284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).