1,2-difluorocyclohexane-1-thiol

C6H10F2S — CID 173270258

IUPAC1,2-difluorocyclohexane-1-thiol
SMILESFC1CCCCC1(F)S
InChIInChI=1S/C6H10F2S/c7-5-3-1-2-4-6(5,8)9/h5,9H,1-4H2
InChIKeyYDHZNVBLJIHAIN-UHFFFAOYSA-N
MW152.21 g/mol
LogP2.49
Rot. Bonds

About 1,2-difluorocyclohexane-1-thiol

1,2-difluorocyclohexane-1-thiol (PubChem CID 173270258) has the molecular formula C6H10F2S and a molecular weight of 152.21 g/mol. Its IUPAC name is 1,2-difluorocyclohexane-1-thiol.

Molecular Properties

Compound Name1,2-difluorocyclohexane-1-thiol
PubChem CID173270258
Molecular FormulaC6H10F2S
Molecular Weight152.21 g/mol
Exact Mass152.05
IUPAC Name1,2-difluorocyclohexane-1-thiol
SMILESFC1CCCCC1(F)S
InChIInChI=1S/C6H10F2S/c7-5-3-1-2-4-6(5,8)9/h5,9H,1-4H2
InChIKeyYDHZNVBLJIHAIN-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
4-Fluorocyclohexane-1-thiol
CID 18471947
3-Fluorocyclohexane-1-thiol
CID 87424640
2-Fluorocyclohexane-1-thiol
CID 87425077
2,2-Difluorocyclohexane-1-thiol
CID 87774264
1-Fluorocyclohexane-1-thiol
CID 88184216
1,2,2,3,3-Pentafluorocyclohexane-1-thiol
CID 88718360
2,4,5-Trifluorocyclohexane-1-thiol
CID 146493403
(1R)-2,2-difluorocyclohexane-1-thiol
CID 154971170
cis-(1R,2S)-2-fluorocyclohexane-1-thiol
CID 160810726
3,4-Difluorocyclohexane-1-thiolate
CID 44558417
3,4-Difluorocyclohexane-1-thiol
CID 44558418

Frequently Asked Questions

What is the IUPAC name of 1,2-difluorocyclohexane-1-thiol?
The IUPAC name of 1,2-difluorocyclohexane-1-thiol (CID 173270258) is 1,2-difluorocyclohexane-1-thiol.
What is the SMILES notation for 1,2-difluorocyclohexane-1-thiol?
The canonical SMILES for 1,2-difluorocyclohexane-1-thiol is FC1CCCCC1(F)S.
What is the InChIKey of 1,2-difluorocyclohexane-1-thiol?
The InChIKey is YDHZNVBLJIHAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2S/c7-5-3-1-2-4-6(5,8)9/h5,9H,1-4H2.
What are the key properties of 1,2-difluorocyclohexane-1-thiol?
1,2-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 1,2-difluorocyclohexane-1-thiol is sourced from PubChem (CID 173270258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).