2-(4,4-difluorocyclohexyl)oxy-2-phenylpropan-1-ol

C15H20F2O2 — CID 123488570

IUPAC2-(4,4-difluorocyclohexyl)oxy-2-phenylpropan-1-ol
SMILESCC(CO)(OC1CCC(F)(F)CC1)c1ccccc1
InChIInChI=1S/C15H20F2O2/c1-14(11-18,12-5-3-2-4-6-12)19-13-7-9-15(16,17)10-8-13/h2-6,13,18H,7-11H2,1H3
InChIKeyXTCYWSPGJCOXAI-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.49
Rot. Bonds4

About 2-(4,4-difluorocyclohexyl)oxy-2-phenylpropan-1-ol

2-(4,4-difluorocyclohexyl)oxy-2-phenylpropan-1-ol (PubChem CID 123488570) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)oxy-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)oxy-2-phenylpropan-1-ol
PubChem CID123488570
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name2-(4,4-difluorocyclohexyl)oxy-2-phenylpropan-1-ol
SMILESCC(CO)(OC1CCC(F)(F)CC1)c1ccccc1
InChIInChI=1S/C15H20F2O2/c1-14(11-18,12-5-3-2-4-6-12)19-13-7-9-15(16,17)10-8-13/h2-6,13,18H,7-11H2,1H3
InChIKeyXTCYWSPGJCOXAI-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)oxy-2-phenylpropan-1-ol?
The IUPAC name of 2-(4,4-difluorocyclohexyl)oxy-2-phenylpropan-1-ol (CID 123488570) is 2-(4,4-difluorocyclohexyl)oxy-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)oxy-2-phenylpropan-1-ol?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)oxy-2-phenylpropan-1-ol is CC(CO)(OC1CCC(F)(F)CC1)c1ccccc1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)oxy-2-phenylpropan-1-ol?
The InChIKey is XTCYWSPGJCOXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O2/c1-14(11-18,12-5-3-2-4-6-12)19-13-7-9-15(16,17)10-8-13/h2-6,13,18H,7-11H2,1H3.
What are the key properties of 2-(4,4-difluorocyclohexyl)oxy-2-phenylpropan-1-ol?
2-(4,4-difluorocyclohexyl)oxy-2-phenylpropan-1-ol has a molecular weight of 270.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)oxy-2-phenylpropan-1-ol is sourced from PubChem (CID 123488570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).