[3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol

C12H10F2OS — CID 115527711

IUPAC[3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol
SMILESOC(c1cccc(C(F)F)c1)c1cccs1
InChIInChI=1S/C12H10F2OS/c13-12(14)9-4-1-3-8(7-9)11(15)10-5-2-6-16-10/h1-7,11-12,15H
InChIKeyZKBMHKYCRCTDJY-UHFFFAOYSA-N
MW240.27 g/mol
LogP3.77
Rot. Bonds3

About [3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol

[3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol (PubChem CID 115527711) has the molecular formula C12H10F2OS and a molecular weight of 240.27 g/mol. Its IUPAC name is [3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol.

Molecular Properties

Compound Name[3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol
PubChem CID115527711
Molecular FormulaC12H10F2OS
Molecular Weight240.27 g/mol
Exact Mass240.04
IUPAC Name[3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol
SMILESOC(c1cccc(C(F)F)c1)c1cccs1
InChIInChI=1S/C12H10F2OS/c13-12(14)9-4-1-3-8(7-9)11(15)10-5-2-6-16-10/h1-7,11-12,15H
InChIKeyZKBMHKYCRCTDJY-UHFFFAOYSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(difluoromethyl)phenyl]methanediol
CID 162564421
(S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol
CID 95011849
(5-bromothiophen-3-yl)-thiophen-2-ylmethanol
CID 105079878
(3-phenylmethoxyphenyl)-thiophen-2-ylmethanol
CID 2904667
1-chloro-3-[3-[hydroxy(thiophen-2-yl)methyl]anilino]propan-2-ol
CID 168636920
1-[3-(difluoromethyl)phenyl]prop-2-en-1-ol
CID 115527641
(3,4-diethylphenyl)-thiophen-2-ylmethanol
CID 115482624
3-(dithiophen-2-ylmethyl)phenol
CID 46201100
2-[3-[hydroxy(thiophen-2-yl)methyl]anilino]ethene-1,1,2-tricarbonitrile
CID 168606758
[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol
CID 11197598
[3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol
CID 116809823
(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-thiophen-2-ylmethanol
CID 116525903

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol?
The IUPAC name of [3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol (CID 115527711) is [3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol.
What is the SMILES notation for [3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol?
The canonical SMILES for [3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol is OC(c1cccc(C(F)F)c1)c1cccs1.
What is the InChIKey of [3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol?
The InChIKey is ZKBMHKYCRCTDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2OS/c13-12(14)9-4-1-3-8(7-9)11(15)10-5-2-6-16-10/h1-7,11-12,15H.
What are the key properties of [3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol?
[3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol has a molecular weight of 240.27 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol is sourced from PubChem (CID 115527711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).