(Z)-1-fluorohept-2-ene-4-thiol

C7H13FS — CID 139395144

IUPAC(Z)-1-fluorohept-2-ene-4-thiol
SMILESCCCC(S)/C=C\CF
InChIInChI=1S/C7H13FS/c1-2-4-7(9)5-3-6-8/h3,5,7,9H,2,4,6H2,1H3/b5-3-
InChIKeyMZAWSJFSWOQEEF-HYXAFXHYSA-N
MW148.25 g/mol
LogP2.61
Rot. Bonds4

About (Z)-1-fluorohept-2-ene-4-thiol

(Z)-1-fluorohept-2-ene-4-thiol (PubChem CID 139395144) has the molecular formula C7H13FS and a molecular weight of 148.25 g/mol. Its IUPAC name is (Z)-1-fluorohept-2-ene-4-thiol.

Molecular Properties

Compound Name(Z)-1-fluorohept-2-ene-4-thiol
PubChem CID139395144
Molecular FormulaC7H13FS
Molecular Weight148.25 g/mol
Exact Mass148.07
IUPAC Name(Z)-1-fluorohept-2-ene-4-thiol
SMILESCCCC(S)/C=C\CF
InChIInChI=1S/C7H13FS/c1-2-4-7(9)5-3-6-8/h3,5,7,9H,2,4,6H2,1H3/b5-3-
InChIKeyMZAWSJFSWOQEEF-HYXAFXHYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(18F)fluoropentane-2-thiol
CID 11701036
4-sulfanylnon-5-enoic acid
CID 91494199
heptane-4-thiol
CID 12627260
[(E)-1-fluorodec-2-en-4-yl] benzoate
CID 12015067
1-iodobutane-1-thiol
CID 22402717
2-sulfanyltridecanal
CID 134564742
(6R)-6-methylnon-4-ene
CID 175484589
5,5-dimethyloctane-4-thiol
CID 175152485
(E)-3-methylhex-1-ene-1-thiol
CID 88973793
(E)-5-methyldodec-3-ene
CID 173194511
butane;bis(1-sulfanylbutan-1-ol)
CID 88805190
1,1-difluorobutane;ethane
CID 164925096

Frequently Asked Questions

What is the IUPAC name of (Z)-1-fluorohept-2-ene-4-thiol?
The IUPAC name of (Z)-1-fluorohept-2-ene-4-thiol (CID 139395144) is (Z)-1-fluorohept-2-ene-4-thiol.
What is the SMILES notation for (Z)-1-fluorohept-2-ene-4-thiol?
The canonical SMILES for (Z)-1-fluorohept-2-ene-4-thiol is CCCC(S)/C=C\CF.
What is the InChIKey of (Z)-1-fluorohept-2-ene-4-thiol?
The InChIKey is MZAWSJFSWOQEEF-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H13FS/c1-2-4-7(9)5-3-6-8/h3,5,7,9H,2,4,6H2,1H3/b5-3-.
What are the key properties of (Z)-1-fluorohept-2-ene-4-thiol?
(Z)-1-fluorohept-2-ene-4-thiol has a molecular weight of 148.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-fluorohept-2-ene-4-thiol is sourced from PubChem (CID 139395144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).