3,3-difluoro-2-propan-2-ylcyclobutan-1-ol

C7H12F2O — CID 129296455

IUPAC3,3-difluoro-2-propan-2-ylcyclobutan-1-ol
SMILESCC(C)C1C(O)CC1(F)F
InChIInChI=1S/C7H12F2O/c1-4(2)6-5(10)3-7(6,8)9/h4-6,10H,3H2,1-2H3
InChIKeyWFINSPDFDXVHQR-UHFFFAOYSA-N
MW150.17 g/mol
LogP1.66
Rot. Bonds1

About 3,3-difluoro-2-propan-2-ylcyclobutan-1-ol

3,3-difluoro-2-propan-2-ylcyclobutan-1-ol (PubChem CID 129296455) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 3,3-difluoro-2-propan-2-ylcyclobutan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-2-propan-2-ylcyclobutan-1-ol
PubChem CID129296455
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name3,3-difluoro-2-propan-2-ylcyclobutan-1-ol
SMILESCC(C)C1C(O)CC1(F)F
InChIInChI=1S/C7H12F2O/c1-4(2)6-5(10)3-7(6,8)9/h4-6,10H,3H2,1-2H3
InChIKeyWFINSPDFDXVHQR-UHFFFAOYSA-N
XLogP1.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-propan-2-ylcyclobutan-1-ol?
The IUPAC name of 3,3-difluoro-2-propan-2-ylcyclobutan-1-ol (CID 129296455) is 3,3-difluoro-2-propan-2-ylcyclobutan-1-ol.
What is the SMILES notation for 3,3-difluoro-2-propan-2-ylcyclobutan-1-ol?
The canonical SMILES for 3,3-difluoro-2-propan-2-ylcyclobutan-1-ol is CC(C)C1C(O)CC1(F)F.
What is the InChIKey of 3,3-difluoro-2-propan-2-ylcyclobutan-1-ol?
The InChIKey is WFINSPDFDXVHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-4(2)6-5(10)3-7(6,8)9/h4-6,10H,3H2,1-2H3.
What are the key properties of 3,3-difluoro-2-propan-2-ylcyclobutan-1-ol?
3,3-difluoro-2-propan-2-ylcyclobutan-1-ol has a molecular weight of 150.17 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-propan-2-ylcyclobutan-1-ol is sourced from PubChem (CID 129296455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).