(4S)-2-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene

C10H12F2S — CID 161224056

IUPAC(4S)-2-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESC[C@H]1CCc2sc(C(C)(F)F)cc21
InChIInChI=1S/C10H12F2S/c1-6-3-4-8-7(6)5-9(13-8)10(2,11)12/h5-6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyZUKXRSMNLXHMEW-LURJTMIESA-N
MW202.27 g/mol
LogP3.91
Rot. Bonds1

About (4S)-2-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene

(4S)-2-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene (PubChem CID 161224056) has the molecular formula C10H12F2S and a molecular weight of 202.27 g/mol. Its IUPAC name is (4S)-2-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name(4S)-2-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene
PubChem CID161224056
Molecular FormulaC10H12F2S
Molecular Weight202.27 g/mol
Exact Mass202.06
IUPAC Name(4S)-2-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESC[C@H]1CCc2sc(C(C)(F)F)cc21
InChIInChI=1S/C10H12F2S/c1-6-3-4-8-7(6)5-9(13-8)10(2,11)12/h5-6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyZUKXRSMNLXHMEW-LURJTMIESA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene?
The IUPAC name of (4S)-2-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene (CID 161224056) is (4S)-2-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene.
What is the SMILES notation for (4S)-2-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene?
The canonical SMILES for (4S)-2-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene is C[C@H]1CCc2sc(C(C)(F)F)cc21.
What is the InChIKey of (4S)-2-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene?
The InChIKey is ZUKXRSMNLXHMEW-LURJTMIESA-N. The full InChI is InChI=1S/C10H12F2S/c1-6-3-4-8-7(6)5-9(13-8)10(2,11)12/h5-6H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (4S)-2-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene?
(4S)-2-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene has a molecular weight of 202.27 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene is sourced from PubChem (CID 161224056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).