(4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanol

C11H13BrF2OS — CID 105113164

IUPAC(4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanol
SMILESOC(c1cscc1Br)C1CCC(F)(F)CC1
InChIInChI=1S/C11H13BrF2OS/c12-9-6-16-5-8(9)10(15)7-1-3-11(13,14)4-2-7/h5-7,10,15H,1-4H2
InChIKeySJCUSWURSOUHCP-UHFFFAOYSA-N
MW311.19 g/mol
LogP4.37
Rot. Bonds2

About (4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanol

(4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanol (PubChem CID 105113164) has the molecular formula C11H13BrF2OS and a molecular weight of 311.19 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanol
PubChem CID105113164
Molecular FormulaC11H13BrF2OS
Molecular Weight311.19 g/mol
Exact Mass309.98
IUPAC Name(4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanol
SMILESOC(c1cscc1Br)C1CCC(F)(F)CC1
InChIInChI=1S/C11H13BrF2OS/c12-9-6-16-5-8(9)10(15)7-1-3-11(13,14)4-2-7/h5-7,10,15H,1-4H2
InChIKeySJCUSWURSOUHCP-UHFFFAOYSA-N
XLogP4.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanol?
The IUPAC name of (4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanol (CID 105113164) is (4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanol?
The canonical SMILES for (4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanol is OC(c1cscc1Br)C1CCC(F)(F)CC1.
What is the InChIKey of (4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanol?
The InChIKey is SJCUSWURSOUHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2OS/c12-9-6-16-5-8(9)10(15)7-1-3-11(13,14)4-2-7/h5-7,10,15H,1-4H2.
What are the key properties of (4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanol?
(4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanol has a molecular weight of 311.19 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanol is sourced from PubChem (CID 105113164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).