1-(difluoromethyl)-3-methylcyclobutan-1-ol;ethane

C8H16F2O — CID 170740025

IUPAC1-(difluoromethyl)-3-methylcyclobutan-1-ol;ethane
SMILESCC.CC1CC(O)(C(F)F)C1
InChIInChI=1S/C6H10F2O.C2H6/c1-4-2-6(9,3-4)5(7)8;1-2/h4-5,9H,2-3H2,1H3;1-2H3
InChIKeyHKMNIVIUCVSBGG-UHFFFAOYSA-N
MW166.21 g/mol
LogP2.44
Rot. Bonds1

About 1-(difluoromethyl)-3-methylcyclobutan-1-ol;ethane

1-(difluoromethyl)-3-methylcyclobutan-1-ol;ethane (PubChem CID 170740025) has the molecular formula C8H16F2O and a molecular weight of 166.21 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-methylcyclobutan-1-ol;ethane.

Molecular Properties

Compound Name1-(difluoromethyl)-3-methylcyclobutan-1-ol;ethane
PubChem CID170740025
Molecular FormulaC8H16F2O
Molecular Weight166.21 g/mol
Exact Mass166.12
IUPAC Name1-(difluoromethyl)-3-methylcyclobutan-1-ol;ethane
SMILESCC.CC1CC(O)(C(F)F)C1
InChIInChI=1S/C6H10F2O.C2H6/c1-4-2-6(9,3-4)5(7)8;1-2/h4-5,9H,2-3H2,1H3;1-2H3
InChIKeyHKMNIVIUCVSBGG-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-methylcyclobutan-1-ol;ethane?
The IUPAC name of 1-(difluoromethyl)-3-methylcyclobutan-1-ol;ethane (CID 170740025) is 1-(difluoromethyl)-3-methylcyclobutan-1-ol;ethane.
What is the SMILES notation for 1-(difluoromethyl)-3-methylcyclobutan-1-ol;ethane?
The canonical SMILES for 1-(difluoromethyl)-3-methylcyclobutan-1-ol;ethane is CC.CC1CC(O)(C(F)F)C1.
What is the InChIKey of 1-(difluoromethyl)-3-methylcyclobutan-1-ol;ethane?
The InChIKey is HKMNIVIUCVSBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O.C2H6/c1-4-2-6(9,3-4)5(7)8;1-2/h4-5,9H,2-3H2,1H3;1-2H3.
What are the key properties of 1-(difluoromethyl)-3-methylcyclobutan-1-ol;ethane?
1-(difluoromethyl)-3-methylcyclobutan-1-ol;ethane has a molecular weight of 166.21 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-methylcyclobutan-1-ol;ethane is sourced from PubChem (CID 170740025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).