2-(5-chlorothiophen-2-yl)-2-fluoropropan-1-ol

C7H8ClFOS — CID 105425186

IUPAC2-(5-chlorothiophen-2-yl)-2-fluoropropan-1-ol
SMILESCC(F)(CO)c1ccc(Cl)s1
InChIInChI=1S/C7H8ClFOS/c1-7(9,4-10)5-2-3-6(8)11-5/h2-3,10H,4H2,1H3
InChIKeyVNRFCLLQFLPKHI-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.58
Rot. Bonds2

About 2-(5-chlorothiophen-2-yl)-2-fluoropropan-1-ol

2-(5-chlorothiophen-2-yl)-2-fluoropropan-1-ol (PubChem CID 105425186) has the molecular formula C7H8ClFOS and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-2-fluoropropan-1-ol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2-fluoropropan-1-ol
PubChem CID105425186
Molecular FormulaC7H8ClFOS
Molecular Weight194.66 g/mol
Exact Mass194.00
IUPAC Name2-(5-chlorothiophen-2-yl)-2-fluoropropan-1-ol
SMILESCC(F)(CO)c1ccc(Cl)s1
InChIInChI=1S/C7H8ClFOS/c1-7(9,4-10)5-2-3-6(8)11-5/h2-3,10H,4H2,1H3
InChIKeyVNRFCLLQFLPKHI-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-2-fluoropropan-1-ol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2-fluoropropan-1-ol (CID 105425186) is 2-(5-chlorothiophen-2-yl)-2-fluoropropan-1-ol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2-fluoropropan-1-ol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2-fluoropropan-1-ol is CC(F)(CO)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2-fluoropropan-1-ol?
The InChIKey is VNRFCLLQFLPKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFOS/c1-7(9,4-10)5-2-3-6(8)11-5/h2-3,10H,4H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-2-fluoropropan-1-ol?
2-(5-chlorothiophen-2-yl)-2-fluoropropan-1-ol has a molecular weight of 194.66 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-2-fluoropropan-1-ol is sourced from PubChem (CID 105425186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).