2-cyclohexyloxybenzenethiol;fluoroform

C13H17F3OS — CID 174582478

IUPAC2-cyclohexyloxybenzenethiol;fluoroform
SMILESFC(F)F.Sc1ccccc1OC1CCCCC1
InChIInChI=1S/C12H16OS.CHF3/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10;2-1(3)4/h4-5,8-10,14H,1-3,6-7H2;1H
InChIKeyDKGZGFUGNRIWMO-UHFFFAOYSA-N
MW278.34 g/mol
LogP4.87
Rot. Bonds2

About 2-cyclohexyloxybenzenethiol;fluoroform

2-cyclohexyloxybenzenethiol;fluoroform (PubChem CID 174582478) has the molecular formula C13H17F3OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-cyclohexyloxybenzenethiol;fluoroform.

Molecular Properties

Compound Name2-cyclohexyloxybenzenethiol;fluoroform
PubChem CID174582478
Molecular FormulaC13H17F3OS
Molecular Weight278.34 g/mol
Exact Mass278.10
IUPAC Name2-cyclohexyloxybenzenethiol;fluoroform
SMILESFC(F)F.Sc1ccccc1OC1CCCCC1
InChIInChI=1S/C12H16OS.CHF3/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10;2-1(3)4/h4-5,8-10,14H,1-3,6-7H2;1H
InChIKeyDKGZGFUGNRIWMO-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 54.87
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

Thioguaiacol
CID 23642
Benzene, (cyclohexyloxy)-
CID 137492
3-Ethoxybenzenethiol
CID 2736350
5-Fluoro-2-methoxythiophenol
CID 2759008
4-Phenoxythiophenol
CID 2760354
4-(Propan-2-yloxy)benzene-1-thiol
CID 13058454
2-(Trifluoromethoxy)thiophenol
CID 2760732
1,1-Difluoro-4-phenoxybutane
CID 11309941
1-Phenoxy-4-(trifluoromethylthio)benzene
CID 54015726
Difluoromethyl 2-methoxyphenyl sulphide
CID 102369524
4-Ethoxybenzenethiol
CID 9106508
(2,2-Difluoroethoxy)benzene
CID 15789467

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxybenzenethiol;fluoroform?
The IUPAC name of 2-cyclohexyloxybenzenethiol;fluoroform (CID 174582478) is 2-cyclohexyloxybenzenethiol;fluoroform.
What is the SMILES notation for 2-cyclohexyloxybenzenethiol;fluoroform?
The canonical SMILES for 2-cyclohexyloxybenzenethiol;fluoroform is FC(F)F.Sc1ccccc1OC1CCCCC1.
What is the InChIKey of 2-cyclohexyloxybenzenethiol;fluoroform?
The InChIKey is DKGZGFUGNRIWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS.CHF3/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10;2-1(3)4/h4-5,8-10,14H,1-3,6-7H2;1H.
What are the key properties of 2-cyclohexyloxybenzenethiol;fluoroform?
2-cyclohexyloxybenzenethiol;fluoroform has a molecular weight of 278.34 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxybenzenethiol;fluoroform is sourced from PubChem (CID 174582478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).