1,1-difluoro-3-methyl-1-(1-methylcyclobutyl)butan-2-ol

C10H18F2O — CID 134373340

IUPAC1,1-difluoro-3-methyl-1-(1-methylcyclobutyl)butan-2-ol
SMILESCC(C)C(O)C(F)(F)C1(C)CCC1
InChIInChI=1S/C10H18F2O/c1-7(2)8(13)10(11,12)9(3)5-4-6-9/h7-8,13H,4-6H2,1-3H3
InChIKeyANAIMUWOEVUZHB-UHFFFAOYSA-N
MW192.25 g/mol
LogP2.83
Rot. Bonds3

About 1,1-difluoro-3-methyl-1-(1-methylcyclobutyl)butan-2-ol

1,1-difluoro-3-methyl-1-(1-methylcyclobutyl)butan-2-ol (PubChem CID 134373340) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is 1,1-difluoro-3-methyl-1-(1-methylcyclobutyl)butan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-methyl-1-(1-methylcyclobutyl)butan-2-ol
PubChem CID134373340
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name1,1-difluoro-3-methyl-1-(1-methylcyclobutyl)butan-2-ol
SMILESCC(C)C(O)C(F)(F)C1(C)CCC1
InChIInChI=1S/C10H18F2O/c1-7(2)8(13)10(11,12)9(3)5-4-6-9/h7-8,13H,4-6H2,1-3H3
InChIKeyANAIMUWOEVUZHB-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-methyl-1-(1-methylcyclobutyl)butan-2-ol?
The IUPAC name of 1,1-difluoro-3-methyl-1-(1-methylcyclobutyl)butan-2-ol (CID 134373340) is 1,1-difluoro-3-methyl-1-(1-methylcyclobutyl)butan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-methyl-1-(1-methylcyclobutyl)butan-2-ol?
The canonical SMILES for 1,1-difluoro-3-methyl-1-(1-methylcyclobutyl)butan-2-ol is CC(C)C(O)C(F)(F)C1(C)CCC1.
What is the InChIKey of 1,1-difluoro-3-methyl-1-(1-methylcyclobutyl)butan-2-ol?
The InChIKey is ANAIMUWOEVUZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O/c1-7(2)8(13)10(11,12)9(3)5-4-6-9/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 1,1-difluoro-3-methyl-1-(1-methylcyclobutyl)butan-2-ol?
1,1-difluoro-3-methyl-1-(1-methylcyclobutyl)butan-2-ol has a molecular weight of 192.25 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-methyl-1-(1-methylcyclobutyl)butan-2-ol is sourced from PubChem (CID 134373340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).