3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol

C11H14F2O2 — CID 81217572

IUPAC3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COc1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2O2/c1-11(2,6-14)7-15-10-4-8(12)3-9(13)5-10/h3-5,14H,6-7H2,1-2H3
InChIKeyZCRYJTOQAWNRKS-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.36
Rot. Bonds4

About 3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol

3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol (PubChem CID 81217572) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol
PubChem CID81217572
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COc1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2O2/c1-11(2,6-14)7-15-10-4-8(12)3-9(13)5-10/h3-5,14H,6-7H2,1-2H3
InChIKeyZCRYJTOQAWNRKS-UHFFFAOYSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(3,5-difluorophenoxy)-2-methylpropanamide
CID 62783596
2-amino-3-(3,5-difluorophenoxy)-2-methylpropanoic acid
CID 62785817
3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019164
3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 11031093
[3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine
CID 164885137
1-(3,5-difluorophenoxy)-3,3-dimethylbutan-2-one
CID 62784864
1-(2,2-dimethylpropoxy)-3-ethoxy-5-fluorobenzene;ethane;propane
CID 170603144
5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64810959
3-(3,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 62786393
3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol
CID 175336330
3-[2-(dimethylamino)-2-methylpropoxy]-5-fluoroaniline
CID 80752743
1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol
CID 114228810

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol (CID 81217572) is 3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol is CC(C)(CO)COc1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol?
The InChIKey is ZCRYJTOQAWNRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2/c1-11(2,6-14)7-15-10-4-8(12)3-9(13)5-10/h3-5,14H,6-7H2,1-2H3.
What are the key properties of 3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol?
3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol has a molecular weight of 216.23 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81217572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).