1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoro-3-methylbutan-2-ol

C10H16F4O — CID 134373245

IUPAC1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoro-3-methylbutan-2-ol
SMILESCC(C)C(O)C(F)(F)C1(C)CC(F)(F)C1
InChIInChI=1S/C10H16F4O/c1-6(2)7(15)10(13,14)8(3)4-9(11,12)5-8/h6-7,15H,4-5H2,1-3H3
InChIKeyVNXPHMTZWRKOFR-UHFFFAOYSA-N
MW228.23 g/mol
LogP3.07
Rot. Bonds3

About 1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoro-3-methylbutan-2-ol

1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoro-3-methylbutan-2-ol (PubChem CID 134373245) has the molecular formula C10H16F4O and a molecular weight of 228.23 g/mol. Its IUPAC name is 1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoro-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoro-3-methylbutan-2-ol
PubChem CID134373245
Molecular FormulaC10H16F4O
Molecular Weight228.23 g/mol
Exact Mass228.11
IUPAC Name1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoro-3-methylbutan-2-ol
SMILESCC(C)C(O)C(F)(F)C1(C)CC(F)(F)C1
InChIInChI=1S/C10H16F4O/c1-6(2)7(15)10(13,14)8(3)4-9(11,12)5-8/h6-7,15H,4-5H2,1-3H3
InChIKeyVNXPHMTZWRKOFR-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoro-3-methylbutan-2-ol?
The IUPAC name of 1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoro-3-methylbutan-2-ol (CID 134373245) is 1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoro-3-methylbutan-2-ol.
What is the SMILES notation for 1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoro-3-methylbutan-2-ol?
The canonical SMILES for 1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoro-3-methylbutan-2-ol is CC(C)C(O)C(F)(F)C1(C)CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoro-3-methylbutan-2-ol?
The InChIKey is VNXPHMTZWRKOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4O/c1-6(2)7(15)10(13,14)8(3)4-9(11,12)5-8/h6-7,15H,4-5H2,1-3H3.
What are the key properties of 1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoro-3-methylbutan-2-ol?
1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoro-3-methylbutan-2-ol has a molecular weight of 228.23 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoro-3-methylbutan-2-ol is sourced from PubChem (CID 134373245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).