1,2-difluorocyclopentane-1-thiol

C5H8F2S — CID 173270141

IUPAC1,2-difluorocyclopentane-1-thiol
SMILESFC1CCCC1(F)S
InChIInChI=1S/C5H8F2S/c6-4-2-1-3-5(4,7)8/h4,8H,1-3H2
InChIKeyCJZARKVUOILDIQ-UHFFFAOYSA-N
MW138.18 g/mol
LogP2.10
Rot. Bonds

About 1,2-difluorocyclopentane-1-thiol

1,2-difluorocyclopentane-1-thiol (PubChem CID 173270141) has the molecular formula C5H8F2S and a molecular weight of 138.18 g/mol. Its IUPAC name is 1,2-difluorocyclopentane-1-thiol.

Molecular Properties

Compound Name1,2-difluorocyclopentane-1-thiol
PubChem CID173270141
Molecular FormulaC5H8F2S
Molecular Weight138.18 g/mol
Exact Mass138.03
IUPAC Name1,2-difluorocyclopentane-1-thiol
SMILESFC1CCCC1(F)S
InChIInChI=1S/C5H8F2S/c6-4-2-1-3-5(4,7)8/h4,8H,1-3H2
InChIKeyCJZARKVUOILDIQ-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.18
LogP ≤ 52.10
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

3-Fluorocyclopentane-1-thiol
CID 23290228
1-Fluorocyclopentane-1-thiol
CID 88183367
3,3-Difluorocyclopentane-1-thiol
CID 117899637
2,2-Difluorocyclopentane-1-thiol
CID 123974985
(1R)-3,3-difluorocyclopentane-1-thiol
CID 149196884
(1S)-3,3-difluorocyclopentane-1-thiol
CID 149196883
Cyclopentanethiol;trihydrofluoride
CID 173369832

Frequently Asked Questions

What is the IUPAC name of 1,2-difluorocyclopentane-1-thiol?
The IUPAC name of 1,2-difluorocyclopentane-1-thiol (CID 173270141) is 1,2-difluorocyclopentane-1-thiol.
What is the SMILES notation for 1,2-difluorocyclopentane-1-thiol?
The canonical SMILES for 1,2-difluorocyclopentane-1-thiol is FC1CCCC1(F)S.
What is the InChIKey of 1,2-difluorocyclopentane-1-thiol?
The InChIKey is CJZARKVUOILDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2S/c6-4-2-1-3-5(4,7)8/h4,8H,1-3H2.
What are the key properties of 1,2-difluorocyclopentane-1-thiol?
1,2-difluorocyclopentane-1-thiol has a molecular weight of 138.18 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluorocyclopentane-1-thiol is sourced from PubChem (CID 173270141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).