(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

C15H26F2O2 — CID 105132037

IUPAC(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)C2CCC(F)(F)CC2)C(C)(C)O1
InChIInChI=1S/C15H26F2O2/c1-13(2)9-11(14(3,4)19-13)12(18)10-5-7-15(16,17)8-6-10/h10-12,18H,5-9H2,1-4H3
InChIKeyZJNVLIBUMGULRV-UHFFFAOYSA-N
MW276.37 g/mol
LogP3.77
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (PubChem CID 105132037) has the molecular formula C15H26F2O2 and a molecular weight of 276.37 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
PubChem CID105132037
Molecular FormulaC15H26F2O2
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Name(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)C2CCC(F)(F)CC2)C(C)(C)O1
InChIInChI=1S/C15H26F2O2/c1-13(2)9-11(14(3,4)19-13)12(18)10-5-7-15(16,17)8-6-10/h10-12,18H,5-9H2,1-4H3
InChIKeyZJNVLIBUMGULRV-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-Butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 21020792
1,1,1,3,3,3-hexafluoro-2-[(5R)-5-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-ol
CID 59539861
4-Cyclohexyl-4-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
CID 59602147
1,1,1,3,3,3-Hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol
CID 59678746
2-(3,3-Difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 59678767
(2S)-3-(5,6-difluoro-3,4-dimethyloxan-2-yl)propane-1,2-diol
CID 68103568
3-(5,6-Difluoro-3,4,6-trimethyloxan-2-yl)propan-1-ol
CID 68112163
2-Cyclohexyl-5,5,5-trifluoro-4-methylpentane-1,4-diol
CID 70857136
2-[4-(2-Ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 88868533
4-Cyclohexyl-1,1,1-trifluoro-4-methoxy-2-methylbutan-2-ol
CID 117851862
2-[(5S)-4,4-difluoro-5-propyloxolan-2-yl]cyclopropan-1-ol
CID 126663004
3-[2-(1,1-Difluoropentoxy)butan-2-yl]cyclohexan-1-ol
CID 141789932

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The IUPAC name of (4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (CID 105132037) is (4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The canonical SMILES for (4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is CC1(C)CC(C(O)C2CCC(F)(F)CC2)C(C)(C)O1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The InChIKey is ZJNVLIBUMGULRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2O2/c1-13(2)9-11(14(3,4)19-13)12(18)10-5-7-15(16,17)8-6-10/h10-12,18H,5-9H2,1-4H3.
What are the key properties of (4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol has a molecular weight of 276.37 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is sourced from PubChem (CID 105132037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).