cis-(1S,2R)-2-fluorocyclohexane-1-thiol

C6H11FS — CID 160810727

IUPACcis-(1S,2R)-2-fluorocyclohexane-1-thiol
SMILESF[C@@H]1CCCC[C@@H]1S
InChIInChI=1S/C6H11FS/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2/t5-,6+/m1/s1
InChIKeyGKYIMQFINBTCQR-RITPCOANSA-N
MW134.22 g/mol
LogP2.20
Rot. Bonds

About cis-(1S,2R)-2-fluorocyclohexane-1-thiol

cis-(1S,2R)-2-fluorocyclohexane-1-thiol (PubChem CID 160810727) has the molecular formula C6H11FS and a molecular weight of 134.22 g/mol. Its IUPAC name is cis-(1S,2R)-2-fluorocyclohexane-1-thiol.

Molecular Properties

Compound Namecis-(1S,2R)-2-fluorocyclohexane-1-thiol
PubChem CID160810727
Molecular FormulaC6H11FS
Molecular Weight134.22 g/mol
Exact Mass134.06
IUPAC Namecis-(1S,2R)-2-fluorocyclohexane-1-thiol
SMILESF[C@@H]1CCCC[C@@H]1S
InChIInChI=1S/C6H11FS/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2/t5-,6+/m1/s1
InChIKeyGKYIMQFINBTCQR-RITPCOANSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cis-(1S,2R)-2-fluorocyclohexane-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-fluorocyclohexane-1-thiol?
The IUPAC name of cis-(1S,2R)-2-fluorocyclohexane-1-thiol (CID 160810727) is cis-(1S,2R)-2-fluorocyclohexane-1-thiol.
What is the SMILES notation for cis-(1S,2R)-2-fluorocyclohexane-1-thiol?
The canonical SMILES for cis-(1S,2R)-2-fluorocyclohexane-1-thiol is F[C@@H]1CCCC[C@@H]1S.
What is the InChIKey of cis-(1S,2R)-2-fluorocyclohexane-1-thiol?
The InChIKey is GKYIMQFINBTCQR-RITPCOANSA-N. The full InChI is InChI=1S/C6H11FS/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2/t5-,6+/m1/s1.
What are the key properties of cis-(1S,2R)-2-fluorocyclohexane-1-thiol?
cis-(1S,2R)-2-fluorocyclohexane-1-thiol has a molecular weight of 134.22 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-fluorocyclohexane-1-thiol is sourced from PubChem (CID 160810727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).