2-(2,2-difluorocyclopropyl)-1-benzothiophene

C11H8F2S — CID 178074860

IUPAC2-(2,2-difluorocyclopropyl)-1-benzothiophene
SMILESFC1(F)CC1c1cc2ccccc2s1
InChIInChI=1S/C11H8F2S/c12-11(13)6-8(11)10-5-7-3-1-2-4-9(7)14-10/h1-5,8H,6H2
InChIKeyJQHUFUNMFRRSQG-UHFFFAOYSA-N
MW210.25 g/mol
LogP4.02
Rot. Bonds1

About 2-(2,2-difluorocyclopropyl)-1-benzothiophene

2-(2,2-difluorocyclopropyl)-1-benzothiophene (PubChem CID 178074860) has the molecular formula C11H8F2S and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)-1-benzothiophene.

Molecular Properties

Compound Name2-(2,2-difluorocyclopropyl)-1-benzothiophene
PubChem CID178074860
Molecular FormulaC11H8F2S
Molecular Weight210.25 g/mol
Exact Mass210.03
IUPAC Name2-(2,2-difluorocyclopropyl)-1-benzothiophene
SMILESFC1(F)CC1c1cc2ccccc2s1
InChIInChI=1S/C11H8F2S/c12-11(13)6-8(11)10-5-7-3-1-2-4-9(7)14-10/h1-5,8H,6H2
InChIKeyJQHUFUNMFRRSQG-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluorocyclopropyl)-1-benzothiophene
CID 162416065
3-(1-benzothiophen-2-yl)oxetane
CID 119082125
3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine
CID 114911379
3-(1-benzothiophen-2-yl)cyclobutan-1-one
CID 114911359
4-(1-benzothiophen-2-yl)piperidine
CID 22028239
3-(1-benzothiophen-2-yl)cyclopentan-1-one
CID 102578531
1-(1-benzothiophen-2-yl)aziridine
CID 14339463
(6S)-6-(1-benzothiophen-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 56959409
2-(1-benzothiophen-2-yl)-1,3-benzodioxin-4-one
CID 176765895
2,2-bis(1-benzothiophen-2-yl)oxirane
CID 90390877
3-(1-benzothiophen-2-yl)-3H-2-benzofuran-1-one
CID 12758158
2-(fluoromethyl)-1-benzothiophene
CID 119085404

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopropyl)-1-benzothiophene?
The IUPAC name of 2-(2,2-difluorocyclopropyl)-1-benzothiophene (CID 178074860) is 2-(2,2-difluorocyclopropyl)-1-benzothiophene.
What is the SMILES notation for 2-(2,2-difluorocyclopropyl)-1-benzothiophene?
The canonical SMILES for 2-(2,2-difluorocyclopropyl)-1-benzothiophene is FC1(F)CC1c1cc2ccccc2s1.
What is the InChIKey of 2-(2,2-difluorocyclopropyl)-1-benzothiophene?
The InChIKey is JQHUFUNMFRRSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2S/c12-11(13)6-8(11)10-5-7-3-1-2-4-9(7)14-10/h1-5,8H,6H2.
What are the key properties of 2-(2,2-difluorocyclopropyl)-1-benzothiophene?
2-(2,2-difluorocyclopropyl)-1-benzothiophene has a molecular weight of 210.25 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopropyl)-1-benzothiophene is sourced from PubChem (CID 178074860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).