(1S)-3,3-difluorocyclopentane-1-thiol

C5H8F2S — CID 149196883

IUPAC(1S)-3,3-difluorocyclopentane-1-thiol
SMILESFC1(F)CC[C@H](S)C1
InChIInChI=1S/C5H8F2S/c6-5(7)2-1-4(8)3-5/h4,8H,1-3H2/t4-/m0/s1
InChIKeyXDXRGRMBTRFSIJ-BYPYZUCNSA-N
MW138.18 g/mol
LogP2.10
Rot. Bonds

About (1S)-3,3-difluorocyclopentane-1-thiol

(1S)-3,3-difluorocyclopentane-1-thiol (PubChem CID 149196883) has the molecular formula C5H8F2S and a molecular weight of 138.18 g/mol. Its IUPAC name is (1S)-3,3-difluorocyclopentane-1-thiol.

Molecular Properties

Compound Name(1S)-3,3-difluorocyclopentane-1-thiol
PubChem CID149196883
Molecular FormulaC5H8F2S
Molecular Weight138.18 g/mol
Exact Mass138.03
IUPAC Name(1S)-3,3-difluorocyclopentane-1-thiol
SMILESFC1(F)CC[C@H](S)C1
InChIInChI=1S/C5H8F2S/c6-5(7)2-1-4(8)3-5/h4,8H,1-3H2/t4-/m0/s1
InChIKeyXDXRGRMBTRFSIJ-BYPYZUCNSA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-difluorocyclopentane-1-thiol?
The IUPAC name of (1S)-3,3-difluorocyclopentane-1-thiol (CID 149196883) is (1S)-3,3-difluorocyclopentane-1-thiol.
What is the SMILES notation for (1S)-3,3-difluorocyclopentane-1-thiol?
The canonical SMILES for (1S)-3,3-difluorocyclopentane-1-thiol is FC1(F)CC[C@H](S)C1.
What is the InChIKey of (1S)-3,3-difluorocyclopentane-1-thiol?
The InChIKey is XDXRGRMBTRFSIJ-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8F2S/c6-5(7)2-1-4(8)3-5/h4,8H,1-3H2/t4-/m0/s1.
What are the key properties of (1S)-3,3-difluorocyclopentane-1-thiol?
(1S)-3,3-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 (1S)-3,3-difluorocyclopentane-1-thiol is sourced from PubChem (CID 149196883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).