2,2-difluorocyclohexane-1-thiol

C6H10F2S — CID 87774264

IUPAC2,2-difluorocyclohexane-1-thiol
SMILESFC1(F)CCCCC1S
InChIInChI=1S/C6H10F2S/c7-6(8)4-2-1-3-5(6)9/h5,9H,1-4H2
InChIKeyZXEXCDPTZVOBPW-UHFFFAOYSA-N
MW152.21 g/mol
LogP2.49
Rot. Bonds

About 2,2-difluorocyclohexane-1-thiol

2,2-difluorocyclohexane-1-thiol (PubChem CID 87774264) has the molecular formula C6H10F2S and a molecular weight of 152.21 g/mol. Its IUPAC name is 2,2-difluorocyclohexane-1-thiol.

Molecular Properties

Compound Name2,2-difluorocyclohexane-1-thiol
PubChem CID87774264
Molecular FormulaC6H10F2S
Molecular Weight152.21 g/mol
Exact Mass152.05
IUPAC Name2,2-difluorocyclohexane-1-thiol
SMILESFC1(F)CCCCC1S
InChIInChI=1S/C6H10F2S/c7-6(8)4-2-1-3-5(6)9/h5,9H,1-4H2
InChIKeyZXEXCDPTZVOBPW-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-Difluorocyclohexane-1-thiol
CID 117899709
(Trifluoromethyldisulfanyl)cyclohexane
CID 10536700
2,3,4,5,6-Pentafluorocyclohexane-1-thiol
CID 5246782
4-Fluorocyclohexane-1-thiol
CID 18471947
5,5,5-Trifluoropentylmercaptan
CID 56604698
6,6,6-Trifluorohexylmercaptan
CID 56604702
5,5,6,6,6-Pentafluorohexanethiol
CID 86761442
5,5-Difluorohexane-1-thiol
CID 87058884
5,5-Difluoropentane-1-thiol
CID 87165038
3-Fluorocyclohexane-1-thiol
CID 87424640
2-Fluorocyclohexane-1-thiol
CID 87425077
7,7,7-Trifluoroheptane-1-thiol
CID 87650433

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorocyclohexane-1-thiol?
The IUPAC name of 2,2-difluorocyclohexane-1-thiol (CID 87774264) is 2,2-difluorocyclohexane-1-thiol.
What is the SMILES notation for 2,2-difluorocyclohexane-1-thiol?
The canonical SMILES for 2,2-difluorocyclohexane-1-thiol is FC1(F)CCCCC1S.
What is the InChIKey of 2,2-difluorocyclohexane-1-thiol?
The InChIKey is ZXEXCDPTZVOBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2S/c7-6(8)4-2-1-3-5(6)9/h5,9H,1-4H2.
What are the key properties of 2,2-difluorocyclohexane-1-thiol?
2,2-difluorocyclohexane-1-thiol has a molecular weight of 152.21 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorocyclohexane-1-thiol is sourced from PubChem (CID 87774264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).