N-[(Z,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]methanethioamide

C9H14FNS — CID 142153689

IUPACN-[(Z,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]methanethioamide
SMILESC/C=C(\C=C/CF)C(C)NC=S
InChIInChI=1S/C9H14FNS/c1-3-9(5-4-6-10)8(2)11-7-12/h3-5,7-8H,6H2,1-2H3,(H,11,12)/b5-4-,9-3+
InChIKeyMCXGOVPDQPNFDF-SMPMWSNWSA-N
MW187.28 g/mol
LogP2.39
Rot. Bonds5

About N-[(Z,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]methanethioamide

N-[(Z,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]methanethioamide (PubChem CID 142153689) has the molecular formula C9H14FNS and a molecular weight of 187.28 g/mol. Its IUPAC name is N-[(Z,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]methanethioamide.

Molecular Properties

Compound NameN-[(Z,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]methanethioamide
PubChem CID142153689
Molecular FormulaC9H14FNS
Molecular Weight187.28 g/mol
Exact Mass187.08
IUPAC NameN-[(Z,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]methanethioamide
SMILESC/C=C(\C=C/CF)C(C)NC=S
InChIInChI=1S/C9H14FNS/c1-3-9(5-4-6-10)8(2)11-7-12/h3-5,7-8H,6H2,1-2H3,(H,11,12)/b5-4-,9-3+
InChIKeyMCXGOVPDQPNFDF-SMPMWSNWSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E,2R)-4-fluoro-N-methyl-3-methylidenehex-4-en-2-amine
CID 117854387
N-(4-fluorocyclohexa-2,4-dien-1-yl)methanethioamide
CID 143003089
N-[(4Z,6E)-8,8-difluoro-7-methylocta-4,6-dien-1-yn-3-yl]methanethioamide
CID 163863357
(3E,4E)-3-ethylidene-5-fluoro-N-methylhepta-4,6-dien-2-amine
CID 171547680
(2R,3E,5E)-6-fluoro-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 143443344
N-[(1E)-1-[(6Z)-6-ethylidene-2-fluorocyclohexa-2,4-dien-1-ylidene]ethyl]methanethioamide
CID 167467315
1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 178087421
N-(3-methylhepta-3,5-dien-2-yl)methanethioamide
CID 90953180
ethane;N-(2-methylcyclohexa-2,4-dien-1-yl)ethanethioamide
CID 141774091
ethane;N-[(1E)-1-[(6Z)-6-ethylidene-2-fluorocyclohexa-2,4-dien-1-ylidene]ethyl]methanethioamide
CID 167467314
N-(2-methylcyclohexa-2,4-dien-1-yl)ethanethioamide
CID 141774092
N-[(Z,3E)-3-propylidenehept-4-en-2-yl]methanethioamide
CID 142153733

Frequently Asked Questions

What is the IUPAC name of N-[(Z,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]methanethioamide?
The IUPAC name of N-[(Z,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]methanethioamide (CID 142153689) is N-[(Z,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]methanethioamide.
What is the SMILES notation for N-[(Z,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]methanethioamide?
The canonical SMILES for N-[(Z,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]methanethioamide is C/C=C(\C=C/CF)C(C)NC=S.
What is the InChIKey of N-[(Z,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]methanethioamide?
The InChIKey is MCXGOVPDQPNFDF-SMPMWSNWSA-N. The full InChI is InChI=1S/C9H14FNS/c1-3-9(5-4-6-10)8(2)11-7-12/h3-5,7-8H,6H2,1-2H3,(H,11,12)/b5-4-,9-3+.
What are the key properties of N-[(Z,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]methanethioamide?
N-[(Z,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]methanethioamide has a molecular weight of 187.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]methanethioamide is sourced from PubChem (CID 142153689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).