4-(1-fluoroethoxy)cyclohexane-1-thiol

C8H15FOS — CID 144829764

IUPAC4-(1-fluoroethoxy)cyclohexane-1-thiol
SMILESCC(F)OC1CCC(S)CC1
InChIInChI=1S/C8H15FOS/c1-6(9)10-7-2-4-8(11)5-3-7/h6-8,11H,2-5H2,1H3
InChIKeyZGRPYLACVBIIAA-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.56
Rot. Bonds2

About 4-(1-fluoroethoxy)cyclohexane-1-thiol

4-(1-fluoroethoxy)cyclohexane-1-thiol (PubChem CID 144829764) has the molecular formula C8H15FOS and a molecular weight of 178.27 g/mol. Its IUPAC name is 4-(1-fluoroethoxy)cyclohexane-1-thiol.

Molecular Properties

Compound Name4-(1-fluoroethoxy)cyclohexane-1-thiol
PubChem CID144829764
Molecular FormulaC8H15FOS
Molecular Weight178.27 g/mol
Exact Mass178.08
IUPAC Name4-(1-fluoroethoxy)cyclohexane-1-thiol
SMILESCC(F)OC1CCC(S)CC1
InChIInChI=1S/C8H15FOS/c1-6(9)10-7-2-4-8(11)5-3-7/h6-8,11H,2-5H2,1H3
InChIKeyZGRPYLACVBIIAA-UHFFFAOYSA-N
XLogP2.56
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1-fluoroethoxy)-1,2-di(propan-2-yl)azepane
CID 175612309
1-(difluoromethoxy)-4-methylcyclohexane;ethane
CID 142353854
tricyclopropyloxy(methyl)phosphanium
CID 57300068
1-propan-2-yl-4-propan-2-yloxycyclohexane
CID 18386923
1-(difluoromethoxy)-4-methylcyclohexane;ethene
CID 158991402
1-(4-propan-2-yloxycyclohexyl)ethylphosphane
CID 71124191
4-propan-2-ylcycloheptane-1-thiol
CID 65087635
1-methyl-4-[(2R)-3-methylbutan-2-yl]oxycyclohexane
CID 89381859
ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane
CID 158392294
[4-[4-[(2R)-2-fluoropropanoyl]oxycyclohexyl]cyclohexyl] (2R)-2-fluoropropanoate
CID 56608480
4-(2-propan-2-yloxyethyl)cyclohexane-1-thiol
CID 134212815
propan-2-yloxycycloundecane
CID 91254526

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethoxy)cyclohexane-1-thiol?
The IUPAC name of 4-(1-fluoroethoxy)cyclohexane-1-thiol (CID 144829764) is 4-(1-fluoroethoxy)cyclohexane-1-thiol.
What is the SMILES notation for 4-(1-fluoroethoxy)cyclohexane-1-thiol?
The canonical SMILES for 4-(1-fluoroethoxy)cyclohexane-1-thiol is CC(F)OC1CCC(S)CC1.
What is the InChIKey of 4-(1-fluoroethoxy)cyclohexane-1-thiol?
The InChIKey is ZGRPYLACVBIIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FOS/c1-6(9)10-7-2-4-8(11)5-3-7/h6-8,11H,2-5H2,1H3.
What are the key properties of 4-(1-fluoroethoxy)cyclohexane-1-thiol?
4-(1-fluoroethoxy)cyclohexane-1-thiol has a molecular weight of 178.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethoxy)cyclohexane-1-thiol is sourced from PubChem (CID 144829764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).