1-(4-bromothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol

C10H9BrF2OS — CID 165497656

IUPAC1-(4-bromothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol
SMILESOC1(c2cscc2Br)C=CC(F)(F)CC1
InChIInChI=1S/C10H9BrF2OS/c11-8-6-15-5-7(8)9(14)1-3-10(12,13)4-2-9/h1,3,5-6,14H,2,4H2
InChIKeySRNYVFFMXXCIPJ-UHFFFAOYSA-N
MW295.15 g/mol
LogP3.68
Rot. Bonds1

About 1-(4-bromothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol

1-(4-bromothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol (PubChem CID 165497656) has the molecular formula C10H9BrF2OS and a molecular weight of 295.15 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol
PubChem CID165497656
Molecular FormulaC10H9BrF2OS
Molecular Weight295.15 g/mol
Exact Mass293.95
IUPAC Name1-(4-bromothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol
SMILESOC1(c2cscc2Br)C=CC(F)(F)CC1
InChIInChI=1S/C10H9BrF2OS/c11-8-6-15-5-7(8)9(14)1-3-10(12,13)4-2-9/h1,3,5-6,14H,2,4H2
InChIKeySRNYVFFMXXCIPJ-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol?
The IUPAC name of 1-(4-bromothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol (CID 165497656) is 1-(4-bromothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol is OC1(c2cscc2Br)C=CC(F)(F)CC1.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol?
The InChIKey is SRNYVFFMXXCIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2OS/c11-8-6-15-5-7(8)9(14)1-3-10(12,13)4-2-9/h1,3,5-6,14H,2,4H2.
What are the key properties of 1-(4-bromothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol?
1-(4-bromothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol has a molecular weight of 295.15 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol is sourced from PubChem (CID 165497656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).