1-chloro-1,1-difluoro-3-thiophen-3-ylpropan-2-ol

C7H7ClF2OS — CID 112575323

IUPAC1-chloro-1,1-difluoro-3-thiophen-3-ylpropan-2-ol
SMILESOC(Cc1ccsc1)C(F)(F)Cl
InChIInChI=1S/C7H7ClF2OS/c8-7(9,10)6(11)3-5-1-2-12-4-5/h1-2,4,6,11H,3H2
InChIKeyHRTPBFUPNZDFTI-UHFFFAOYSA-N
MW212.65 g/mol
LogP2.48
Rot. Bonds3

About 1-chloro-1,1-difluoro-3-thiophen-3-ylpropan-2-ol

1-chloro-1,1-difluoro-3-thiophen-3-ylpropan-2-ol (PubChem CID 112575323) has the molecular formula C7H7ClF2OS and a molecular weight of 212.65 g/mol. Its IUPAC name is 1-chloro-1,1-difluoro-3-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-chloro-1,1-difluoro-3-thiophen-3-ylpropan-2-ol
PubChem CID112575323
Molecular FormulaC7H7ClF2OS
Molecular Weight212.65 g/mol
Exact Mass211.99
IUPAC Name1-chloro-1,1-difluoro-3-thiophen-3-ylpropan-2-ol
SMILESOC(Cc1ccsc1)C(F)(F)Cl
InChIInChI=1S/C7H7ClF2OS/c8-7(9,10)6(11)3-5-1-2-12-4-5/h1-2,4,6,11H,3H2
InChIKeyHRTPBFUPNZDFTI-UHFFFAOYSA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.65
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Chlorothiophen-3-yl)ethan-1-ol
CID 19359683
1-(Thiophen-3-yl)propan-2-ol
CID 22901911
(2s)-1-(Thiophen-3-yl)propan-2-ol
CID 75406823
2-(5-Chlorothiophen-3-yl)-2,2-difluoroethan-1-ol
CID 132566149
1,1,1,4,4,4-Hexafluoro-3-thiophen-3-ylbutan-2-ol
CID 90347131
4,4,4-Trifluoro-3-thiophen-3-ylbutan-2-ol
CID 118634143
1,1,1-Trifluoro-3-thiophen-3-ylbutan-2-ol
CID 118634148
2,2,3,3,3-Pentafluoro-1-thiophen-3-ylpropan-1-ol
CID 126971202
2,2-Difluoro-2-(thiophen-3-yl)ethan-1-ol
CID 131546332
4,4,4-Trifluoro-1-thiophen-3-ylbutan-2-ol
CID 62607844
1,1,1-Trifluoro-3-(thiophen-3-yl)propan-2-ol
CID 62961525
1,1,1-Trifluoro-4-(thiophen-3-yl)butan-2-ol
CID 64056407

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,1-difluoro-3-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-chloro-1,1-difluoro-3-thiophen-3-ylpropan-2-ol (CID 112575323) is 1-chloro-1,1-difluoro-3-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-chloro-1,1-difluoro-3-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-chloro-1,1-difluoro-3-thiophen-3-ylpropan-2-ol is OC(Cc1ccsc1)C(F)(F)Cl.
What is the InChIKey of 1-chloro-1,1-difluoro-3-thiophen-3-ylpropan-2-ol?
The InChIKey is HRTPBFUPNZDFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2OS/c8-7(9,10)6(11)3-5-1-2-12-4-5/h1-2,4,6,11H,3H2.
What are the key properties of 1-chloro-1,1-difluoro-3-thiophen-3-ylpropan-2-ol?
1-chloro-1,1-difluoro-3-thiophen-3-ylpropan-2-ol has a molecular weight of 212.65 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1-difluoro-3-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 112575323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).