(3,3-difluorocyclobutyl)methanol

C5H8F2O — CID 45480377

IUPAC(3,3-difluorocyclobutyl)methanol
SMILESOCC1CC(F)(F)C1
InChIInChI=1S/C5H8F2O/c6-5(7)1-4(2-5)3-8/h4,8H,1-3H2
InChIKeyMDZKTVVUZBIKGI-UHFFFAOYSA-N
MW122.11 g/mol
LogP1.02
Rot. Bonds1

About (3,3-difluorocyclobutyl)methanol

(3,3-difluorocyclobutyl)methanol (PubChem CID 45480377) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)methanol.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)methanol
PubChem CID45480377
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name(3,3-difluorocyclobutyl)methanol
SMILESOCC1CC(F)(F)C1
InChIInChI=1S/C5H8F2O/c6-5(7)1-4(2-5)3-8/h4,8H,1-3H2
InChIKeyMDZKTVVUZBIKGI-UHFFFAOYSA-N
XLogP1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.11
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2,2,3,3-Tetrafluorocyclobutanemethanol
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(3-Fluorocyclobutyl)methanol
CID 53414500
1-(Trifluoromethyl)cyclobutanemethanol
CID 66583012
(2,2-Difluorocyclobutyl)methanol
CID 72208167
(1-Fluorocyclobutyl)methanol
CID 72698925
(3-Fluoro-3-methylcyclobutyl)methanol
CID 91277874
3-(Difluoromethyl)cyclobutan-1-ol
CID 105427209
1-(3,3-Difluorocyclobutyl)ethan-1-ol
CID 105427876
[3-(Trifluoromethyl)cyclobutyl]methanol
CID 124179274
[3-(Difluoromethoxy)cyclobutyl]methanol
CID 138111507

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)methanol?
The IUPAC name of (3,3-difluorocyclobutyl)methanol (CID 45480377) is (3,3-difluorocyclobutyl)methanol.
What is the SMILES notation for (3,3-difluorocyclobutyl)methanol?
The canonical SMILES for (3,3-difluorocyclobutyl)methanol is OCC1CC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)methanol?
The InChIKey is MDZKTVVUZBIKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O/c6-5(7)1-4(2-5)3-8/h4,8H,1-3H2.
What are the key properties of (3,3-difluorocyclobutyl)methanol?
(3,3-difluorocyclobutyl)methanol has a molecular weight of 122.11 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)methanol is sourced from PubChem (CID 45480377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).