1-(2-chlorothiophen-3-yl)-3,3,3-trifluoropropan-1-ol

C7H6ClF3OS — CID 131113792

IUPAC1-(2-chlorothiophen-3-yl)-3,3,3-trifluoropropan-1-ol
SMILESOC(CC(F)(F)F)c1ccsc1Cl
InChIInChI=1S/C7H6ClF3OS/c8-6-4(1-2-13-6)5(12)3-7(9,10)11/h1-2,5,12H,3H2
InChIKeyKSWMNLSUCZJLIS-UHFFFAOYSA-N
MW230.64 g/mol
LogP3.39
Rot. Bonds2

About 1-(2-chlorothiophen-3-yl)-3,3,3-trifluoropropan-1-ol

1-(2-chlorothiophen-3-yl)-3,3,3-trifluoropropan-1-ol (PubChem CID 131113792) has the molecular formula C7H6ClF3OS and a molecular weight of 230.64 g/mol. Its IUPAC name is 1-(2-chlorothiophen-3-yl)-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name1-(2-chlorothiophen-3-yl)-3,3,3-trifluoropropan-1-ol
PubChem CID131113792
Molecular FormulaC7H6ClF3OS
Molecular Weight230.64 g/mol
Exact Mass229.98
IUPAC Name1-(2-chlorothiophen-3-yl)-3,3,3-trifluoropropan-1-ol
SMILESOC(CC(F)(F)F)c1ccsc1Cl
InChIInChI=1S/C7H6ClF3OS/c8-6-4(1-2-13-6)5(12)3-7(9,10)11/h1-2,5,12H,3H2
InChIKeyKSWMNLSUCZJLIS-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.64
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorothiophen-3-yl)-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 1-(2-chlorothiophen-3-yl)-3,3,3-trifluoropropan-1-ol (CID 131113792) is 1-(2-chlorothiophen-3-yl)-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 1-(2-chlorothiophen-3-yl)-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 1-(2-chlorothiophen-3-yl)-3,3,3-trifluoropropan-1-ol is OC(CC(F)(F)F)c1ccsc1Cl.
What is the InChIKey of 1-(2-chlorothiophen-3-yl)-3,3,3-trifluoropropan-1-ol?
The InChIKey is KSWMNLSUCZJLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3OS/c8-6-4(1-2-13-6)5(12)3-7(9,10)11/h1-2,5,12H,3H2.
What are the key properties of 1-(2-chlorothiophen-3-yl)-3,3,3-trifluoropropan-1-ol?
1-(2-chlorothiophen-3-yl)-3,3,3-trifluoropropan-1-ol has a molecular weight of 230.64 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorothiophen-3-yl)-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 131113792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).