4-(5-bromothiophen-2-yl)-2,2-difluorocyclopentan-1-ol

C9H9BrF2OS — CID 137483472

IUPAC4-(5-bromothiophen-2-yl)-2,2-difluorocyclopentan-1-ol
SMILESOC1CC(c2ccc(Br)s2)CC1(F)F
InChIInChI=1S/C9H9BrF2OS/c10-8-2-1-6(14-8)5-3-7(13)9(11,12)4-5/h1-2,5,7,13H,3-4H2
InChIKeyWEJFQNUGRXKRIL-UHFFFAOYSA-N
MW283.14 g/mol
LogP3.38
Rot. Bonds1

About 4-(5-bromothiophen-2-yl)-2,2-difluorocyclopentan-1-ol

4-(5-bromothiophen-2-yl)-2,2-difluorocyclopentan-1-ol (PubChem CID 137483472) has the molecular formula C9H9BrF2OS and a molecular weight of 283.14 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-2,2-difluorocyclopentan-1-ol.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-2,2-difluorocyclopentan-1-ol
PubChem CID137483472
Molecular FormulaC9H9BrF2OS
Molecular Weight283.14 g/mol
Exact Mass281.95
IUPAC Name4-(5-bromothiophen-2-yl)-2,2-difluorocyclopentan-1-ol
SMILESOC1CC(c2ccc(Br)s2)CC1(F)F
InChIInChI=1S/C9H9BrF2OS/c10-8-2-1-6(14-8)5-3-7(13)9(11,12)4-5/h1-2,5,7,13H,3-4H2
InChIKeyWEJFQNUGRXKRIL-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-2,2-difluorocyclopentan-1-ol?
The IUPAC name of 4-(5-bromothiophen-2-yl)-2,2-difluorocyclopentan-1-ol (CID 137483472) is 4-(5-bromothiophen-2-yl)-2,2-difluorocyclopentan-1-ol.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-2,2-difluorocyclopentan-1-ol?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-2,2-difluorocyclopentan-1-ol is OC1CC(c2ccc(Br)s2)CC1(F)F.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-2,2-difluorocyclopentan-1-ol?
The InChIKey is WEJFQNUGRXKRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2OS/c10-8-2-1-6(14-8)5-3-7(13)9(11,12)4-5/h1-2,5,7,13H,3-4H2.
What are the key properties of 4-(5-bromothiophen-2-yl)-2,2-difluorocyclopentan-1-ol?
4-(5-bromothiophen-2-yl)-2,2-difluorocyclopentan-1-ol has a molecular weight of 283.14 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-2,2-difluorocyclopentan-1-ol is sourced from PubChem (CID 137483472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).