(2Z)-1-fluorocyclooct-2-ene-1-thiol

C8H13FS — CID 174305731

IUPAC(2Z)-1-fluorocyclooct-2-ene-1-thiol
SMILESFC1(S)/C=C\CCCCC1
InChIInChI=1S/C8H13FS/c9-8(10)6-4-2-1-3-5-7-8/h4,6,10H,1-3,5,7H2/b6-4-
InChIKeyWTRYOWLUHWGTMA-XQRVVYSFSA-N
MW160.26 g/mol
LogP3.10
Rot. Bonds

About (2Z)-1-fluorocyclooct-2-ene-1-thiol

(2Z)-1-fluorocyclooct-2-ene-1-thiol (PubChem CID 174305731) has the molecular formula C8H13FS and a molecular weight of 160.26 g/mol. Its IUPAC name is (2Z)-1-fluorocyclooct-2-ene-1-thiol.

Molecular Properties

Compound Name(2Z)-1-fluorocyclooct-2-ene-1-thiol
PubChem CID174305731
Molecular FormulaC8H13FS
Molecular Weight160.26 g/mol
Exact Mass160.07
IUPAC Name(2Z)-1-fluorocyclooct-2-ene-1-thiol
SMILESFC1(S)/C=C\CCCCC1
InChIInChI=1S/C8H13FS/c9-8(10)6-4-2-1-3-5-7-8/h4,6,10H,1-3,5,7H2/b6-4-
InChIKeyWTRYOWLUHWGTMA-XQRVVYSFSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.10
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

(1Z)-3,3-difluorocyclooctene
CID 129263045
3-fluoro-3-methylcyclooctene
CID 154031859
(2Z)-cyclodec-2-ene-1,1-dicarboxylic acid
CID 118323024
cyclonon-2-ene-1,1-dicarboxylic acid
CID 154315592
(1Z,9E,17E)-cyclotetracosa-1,9,17-triene
CID 153422638
(1E)-cyclooctadeca-1,8-diene
CID 173129359
(1E,8E)-cyclotetradeca-1,8-diene
CID 638080
cyclopentadecene
CID 5463009
cyclopentadeca-1,7-diene
CID 154173092
(1Z,9E)-cyclooctadeca-1,9-diene
CID 143896650
(7Z)-cyclohexadeca-1,7-diene
CID 173129118
(2E)-1-ethynylcyclododec-2-en-1-ol
CID 134887616

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-fluorocyclooct-2-ene-1-thiol?
The IUPAC name of (2Z)-1-fluorocyclooct-2-ene-1-thiol (CID 174305731) is (2Z)-1-fluorocyclooct-2-ene-1-thiol.
What is the SMILES notation for (2Z)-1-fluorocyclooct-2-ene-1-thiol?
The canonical SMILES for (2Z)-1-fluorocyclooct-2-ene-1-thiol is FC1(S)/C=C\CCCCC1.
What is the InChIKey of (2Z)-1-fluorocyclooct-2-ene-1-thiol?
The InChIKey is WTRYOWLUHWGTMA-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H13FS/c9-8(10)6-4-2-1-3-5-7-8/h4,6,10H,1-3,5,7H2/b6-4-.
What are the key properties of (2Z)-1-fluorocyclooct-2-ene-1-thiol?
(2Z)-1-fluorocyclooct-2-ene-1-thiol has a molecular weight of 160.26 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-fluorocyclooct-2-ene-1-thiol is sourced from PubChem (CID 174305731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).