(2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone

C14H10F2OS — CID 114972947

IUPAC(2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
SMILESO=C(c1cc2c(s1)CCC2)c1c(F)cccc1F
InChIInChI=1S/C14H10F2OS/c15-9-4-2-5-10(16)13(9)14(17)12-7-8-3-1-6-11(8)18-12/h2,4-5,7H,1,3,6H2
InChIKeySQEFLDUSQYTNHX-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.75
Rot. Bonds2

About (2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone

(2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone (PubChem CID 114972947) has the molecular formula C14H10F2OS and a molecular weight of 264.30 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
PubChem CID114972947
Molecular FormulaC14H10F2OS
Molecular Weight264.30 g/mol
Exact Mass264.04
IUPAC Name(2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
SMILESO=C(c1cc2c(s1)CCC2)c1c(F)cccc1F
InChIInChI=1S/C14H10F2OS/c15-9-4-2-5-10(16)13(9)14(17)12-7-8-3-1-6-11(8)18-12/h2,4-5,7H,1,3,6H2
InChIKeySQEFLDUSQYTNHX-UHFFFAOYSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluorophenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 114972928
5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl-(2,4,6-trifluorophenyl)methanone
CID 43462933
(2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 114972937
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-1H-indol-3-yl)methanone
CID 82782505
bis(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 140811828
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylnaphthalen-1-yl)methanone
CID 81429952
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone
CID 43463038
(2-fluoro-4-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43561064
(4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 65299563
N'-[2-(3-fluorophenyl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684200
(5-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 63492515
(3-propylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 115812162

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone?
The IUPAC name of (2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone (CID 114972947) is (2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone.
What is the SMILES notation for (2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone?
The canonical SMILES for (2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone is O=C(c1cc2c(s1)CCC2)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone?
The InChIKey is SQEFLDUSQYTNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2OS/c15-9-4-2-5-10(16)13(9)14(17)12-7-8-3-1-6-11(8)18-12/h2,4-5,7H,1,3,6H2.
What are the key properties of (2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone?
(2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone has a molecular weight of 264.30 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone is sourced from PubChem (CID 114972947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).