3-(3,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-ol

C12H14F2O2 — CID 66345004

IUPAC3-(3,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Oc1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2O2/c1-12(2)10(15)6-11(12)16-7-3-4-8(13)9(14)5-7/h3-5,10-11,15H,6H2,1-2H3
InChIKeyWUBHAFQKGOYEAQ-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.50
Rot. Bonds2

About 3-(3,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-ol

3-(3,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-ol (PubChem CID 66345004) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 3-(3,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(3,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-ol
PubChem CID66345004
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name3-(3,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Oc1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2O2/c1-12(2)10(15)6-11(12)16-7-3-4-8(13)9(14)5-7/h3-5,10-11,15H,6H2,1-2H3
InChIKeyWUBHAFQKGOYEAQ-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66368118
2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclobutan-1-ol
CID 66346470
2,2-dimethyl-3-(4-propan-2-ylphenoxy)cyclobutan-1-ol
CID 66368922
2-ethyl-3-(3-fluoro-4-methylphenoxy)-2-methylcyclobutan-1-ol
CID 107171617
3-[3-(methoxymethyl)phenoxy]-2,2-dimethylcyclobutan-1-ol
CID 66343338
3-(3,4-difluorophenoxy)-N-methylcyclobutan-1-amine
CID 66359079
3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66366678
3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol
CID 66345232
3-(2,3-dichlorophenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66367122
3-(2-bromo-4-fluoro-6-nitrophenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66345836
2,2-diethyl-3-(3-methoxyphenoxy)cyclobutan-1-ol
CID 66367495
2,2-diethyl-3-(3-methylphenoxy)cyclobutan-1-ol
CID 66367084

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(3,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-ol (CID 66345004) is 3-(3,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(3,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(3,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1Oc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is WUBHAFQKGOYEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-12(2)10(15)6-11(12)16-7-3-4-8(13)9(14)5-7/h3-5,10-11,15H,6H2,1-2H3.
What are the key properties of 3-(3,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-ol?
3-(3,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 228.24 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 66345004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).