1,1-difluoro-1-(1-methylcyclobutyl)propan-2-ol;ethane

C10H20F2O — CID 142311871

IUPAC1,1-difluoro-1-(1-methylcyclobutyl)propan-2-ol;ethane
SMILESCC.CC(O)C(F)(F)C1(C)CCC1
InChIInChI=1S/C8H14F2O.C2H6/c1-6(11)8(9,10)7(2)4-3-5-7;1-2/h6,11H,3-5H2,1-2H3;1-2H3
InChIKeyBSMBADIOAWFEGC-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.22
Rot. Bonds2

About 1,1-difluoro-1-(1-methylcyclobutyl)propan-2-ol;ethane

1,1-difluoro-1-(1-methylcyclobutyl)propan-2-ol;ethane (PubChem CID 142311871) has the molecular formula C10H20F2O and a molecular weight of 194.27 g/mol. Its IUPAC name is 1,1-difluoro-1-(1-methylcyclobutyl)propan-2-ol;ethane.

Molecular Properties

Compound Name1,1-difluoro-1-(1-methylcyclobutyl)propan-2-ol;ethane
PubChem CID142311871
Molecular FormulaC10H20F2O
Molecular Weight194.27 g/mol
Exact Mass194.15
IUPAC Name1,1-difluoro-1-(1-methylcyclobutyl)propan-2-ol;ethane
SMILESCC.CC(O)C(F)(F)C1(C)CCC1
InChIInChI=1S/C8H14F2O.C2H6/c1-6(11)8(9,10)7(2)4-3-5-7;1-2/h6,11H,3-5H2,1-2H3;1-2H3
InChIKeyBSMBADIOAWFEGC-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(1-methylcyclobutyl)propan-2-ol;ethane?
The IUPAC name of 1,1-difluoro-1-(1-methylcyclobutyl)propan-2-ol;ethane (CID 142311871) is 1,1-difluoro-1-(1-methylcyclobutyl)propan-2-ol;ethane.
What is the SMILES notation for 1,1-difluoro-1-(1-methylcyclobutyl)propan-2-ol;ethane?
The canonical SMILES for 1,1-difluoro-1-(1-methylcyclobutyl)propan-2-ol;ethane is CC.CC(O)C(F)(F)C1(C)CCC1.
What is the InChIKey of 1,1-difluoro-1-(1-methylcyclobutyl)propan-2-ol;ethane?
The InChIKey is BSMBADIOAWFEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O.C2H6/c1-6(11)8(9,10)7(2)4-3-5-7;1-2/h6,11H,3-5H2,1-2H3;1-2H3.
What are the key properties of 1,1-difluoro-1-(1-methylcyclobutyl)propan-2-ol;ethane?
1,1-difluoro-1-(1-methylcyclobutyl)propan-2-ol;ethane has a molecular weight of 194.27 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(1-methylcyclobutyl)propan-2-ol;ethane is sourced from PubChem (CID 142311871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).