1-(3,3-difluorocyclobutyl)ethanol

C6H10F2O — CID 105427876

IUPAC1-(3,3-difluorocyclobutyl)ethanol
SMILESCC(O)C1CC(F)(F)C1
InChIInChI=1S/C6H10F2O/c1-4(9)5-2-6(7,8)3-5/h4-5,9H,2-3H2,1H3
InChIKeyMOJVSYLIEDZMHB-UHFFFAOYSA-N
MW136.14 g/mol
LogP1.41
Rot. Bonds1

About 1-(3,3-difluorocyclobutyl)ethanol

1-(3,3-difluorocyclobutyl)ethanol (PubChem CID 105427876) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)ethanol.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)ethanol
PubChem CID105427876
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name1-(3,3-difluorocyclobutyl)ethanol
SMILESCC(O)C1CC(F)(F)C1
InChIInChI=1S/C6H10F2O/c1-4(9)5-2-6(7,8)3-5/h4-5,9H,2-3H2,1H3
InChIKeyMOJVSYLIEDZMHB-UHFFFAOYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,3-Difluorocyclobutyl)methanol
CID 45480377
2-Ethylcyclobutanol
CID 37109
1-Cyclobutylethan-1-ol
CID 142262
5,5,5-Trifluoro-3-methyl-1-pentanol
CID 23273440
3-Ethylcyclobutan-1-ol
CID 20041454
(1R)-1-cyclobutylethan-1-ol
CID 40430270
(1S)-1-cyclobutylethan-1-ol
CID 40578277
3-(2-Fluoroethyl)cyclobutan-1-ol
CID 68830661
(2,2-Difluorocyclobutyl)methanol
CID 72208167
3-(Difluoromethyl)cyclobutan-1-ol
CID 105427209
3,3-Difluoro-2-propan-2-ylcyclobutan-1-ol
CID 129296455
2-(Trifluoromethyl)cyclobutan-1-ol
CID 129629039

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)ethanol?
The IUPAC name of 1-(3,3-difluorocyclobutyl)ethanol (CID 105427876) is 1-(3,3-difluorocyclobutyl)ethanol.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)ethanol?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)ethanol is CC(O)C1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)ethanol?
The InChIKey is MOJVSYLIEDZMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-4(9)5-2-6(7,8)3-5/h4-5,9H,2-3H2,1H3.
What are the key properties of 1-(3,3-difluorocyclobutyl)ethanol?
1-(3,3-difluorocyclobutyl)ethanol has a molecular weight of 136.14 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)ethanol is sourced from PubChem (CID 105427876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).