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

C11H18F2O2 — CID 105097732

IUPAC(4,4-difluorocyclohexyl)-(oxolan-3-yl)methanol
SMILESOC(C1CCC(F)(F)CC1)C1CCOC1
InChIInChI=1S/C11H18F2O2/c12-11(13)4-1-8(2-5-11)10(14)9-3-6-15-7-9/h8-10,14H,1-7H2
InChIKeyPXZSBRDFQNBIGV-UHFFFAOYSA-N
MW220.26 g/mol
LogP2.21
Rot. Bonds2

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

(4,4-difluorocyclohexyl)-(oxolan-3-yl)methanol (PubChem CID 105097732) has the molecular formula C11H18F2O2 and a molecular weight of 220.26 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(oxolan-3-yl)methanol
PubChem CID105097732
Molecular FormulaC11H18F2O2
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name(4,4-difluorocyclohexyl)-(oxolan-3-yl)methanol
SMILESOC(C1CCC(F)(F)CC1)C1CCOC1
InChIInChI=1S/C11H18F2O2/c12-11(13)4-1-8(2-5-11)10(14)9-3-6-15-7-9/h8-10,14H,1-7H2
InChIKeyPXZSBRDFQNBIGV-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(oxolan-3-yl)methanol?
The IUPAC name of (4,4-difluorocyclohexyl)-(oxolan-3-yl)methanol (CID 105097732) is (4,4-difluorocyclohexyl)-(oxolan-3-yl)methanol.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(oxolan-3-yl)methanol?
The canonical SMILES for (4,4-difluorocyclohexyl)-(oxolan-3-yl)methanol is OC(C1CCC(F)(F)CC1)C1CCOC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(oxolan-3-yl)methanol?
The InChIKey is PXZSBRDFQNBIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O2/c12-11(13)4-1-8(2-5-11)10(14)9-3-6-15-7-9/h8-10,14H,1-7H2.
What are the key properties of (4,4-difluorocyclohexyl)-(oxolan-3-yl)methanol?
(4,4-difluorocyclohexyl)-(oxolan-3-yl)methanol has a molecular weight of 220.26 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(oxolan-3-yl)methanol is sourced from PubChem (CID 105097732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).