(3-bromofuran-2-yl)-(4,4-difluorocyclohexyl)methanol

C11H13BrF2O2 — CID 105099489

IUPAC(3-bromofuran-2-yl)-(4,4-difluorocyclohexyl)methanol
SMILESOC(c1occc1Br)C1CCC(F)(F)CC1
InChIInChI=1S/C11H13BrF2O2/c12-8-3-6-16-10(8)9(15)7-1-4-11(13,14)5-2-7/h3,6-7,9,15H,1-2,4-5H2
InChIKeyKXOCBLQUICUTHR-UHFFFAOYSA-N
MW295.12 g/mol
LogP3.90
Rot. Bonds2

About (3-bromofuran-2-yl)-(4,4-difluorocyclohexyl)methanol

(3-bromofuran-2-yl)-(4,4-difluorocyclohexyl)methanol (PubChem CID 105099489) has the molecular formula C11H13BrF2O2 and a molecular weight of 295.12 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(4,4-difluorocyclohexyl)methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(4,4-difluorocyclohexyl)methanol
PubChem CID105099489
Molecular FormulaC11H13BrF2O2
Molecular Weight295.12 g/mol
Exact Mass294.01
IUPAC Name(3-bromofuran-2-yl)-(4,4-difluorocyclohexyl)methanol
SMILESOC(c1occc1Br)C1CCC(F)(F)CC1
InChIInChI=1S/C11H13BrF2O2/c12-8-3-6-16-10(8)9(15)7-1-4-11(13,14)5-2-7/h3,6-7,9,15H,1-2,4-5H2
InChIKeyKXOCBLQUICUTHR-UHFFFAOYSA-N
XLogP3.90
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(4,4-difluorocyclohexyl)methanol?
The IUPAC name of (3-bromofuran-2-yl)-(4,4-difluorocyclohexyl)methanol (CID 105099489) is (3-bromofuran-2-yl)-(4,4-difluorocyclohexyl)methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-(4,4-difluorocyclohexyl)methanol?
The canonical SMILES for (3-bromofuran-2-yl)-(4,4-difluorocyclohexyl)methanol is OC(c1occc1Br)C1CCC(F)(F)CC1.
What is the InChIKey of (3-bromofuran-2-yl)-(4,4-difluorocyclohexyl)methanol?
The InChIKey is KXOCBLQUICUTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2O2/c12-8-3-6-16-10(8)9(15)7-1-4-11(13,14)5-2-7/h3,6-7,9,15H,1-2,4-5H2.
What are the key properties of (3-bromofuran-2-yl)-(4,4-difluorocyclohexyl)methanol?
(3-bromofuran-2-yl)-(4,4-difluorocyclohexyl)methanol has a molecular weight of 295.12 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(4,4-difluorocyclohexyl)methanol is sourced from PubChem (CID 105099489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).