[1-(hydroxymethyl)cyclobutyl]methyl 2,2-difluoropropanoate

C9H14F2O3 — CID 59602505

IUPAC[1-(hydroxymethyl)cyclobutyl]methyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCC1(CO)CCC1
InChIInChI=1S/C9H14F2O3/c1-8(10,11)7(13)14-6-9(5-12)3-2-4-9/h12H,2-6H2,1H3
InChIKeyOFSYQCSNKORHOZ-UHFFFAOYSA-N
MW208.20 g/mol
LogP1.35
Rot. Bonds4

About [1-(hydroxymethyl)cyclobutyl]methyl 2,2-difluoropropanoate

[1-(hydroxymethyl)cyclobutyl]methyl 2,2-difluoropropanoate (PubChem CID 59602505) has the molecular formula C9H14F2O3 and a molecular weight of 208.20 g/mol. Its IUPAC name is [1-(hydroxymethyl)cyclobutyl]methyl 2,2-difluoropropanoate.

Molecular Properties

Compound Name[1-(hydroxymethyl)cyclobutyl]methyl 2,2-difluoropropanoate
PubChem CID59602505
Molecular FormulaC9H14F2O3
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Name[1-(hydroxymethyl)cyclobutyl]methyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCC1(CO)CCC1
InChIInChI=1S/C9H14F2O3/c1-8(10,11)7(13)14-6-9(5-12)3-2-4-9/h12H,2-6H2,1H3
InChIKeyOFSYQCSNKORHOZ-UHFFFAOYSA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(hydroxymethyl)cyclopentyl]methyl 2,2-difluoro-2-(trioxidanylsulfanyl)acetate
CID 58937250
(2-methyloxetan-2-yl)methyl 2,2-difluoropropanoate
CID 58391835
[1-(hydroxymethyl)cyclohexyl]methyl 2-ethylbutanoate
CID 151792785
tris(cyclododecane);[1-(hydroxymethyl)cyclododecyl]methyl 2-methylprop-2-enoate
CID 70385774
2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide
CID 113293905
[1-(2,2,2-trifluoroethyl)cyclopentyl]methanol
CID 131010290
(1-tert-butylcyclopentyl)methyl 2,2-dimethylpropanoate
CID 90148547
[5,5-bis(hydroxymethyl)spiro[1,3-dithiane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate
CID 118262051
ethyl 2,2-difluoro-2-(1-hydroxycyclobutyl)acetate
CID 62396584
(1-ethylcyclobutyl)methyl carbamate
CID 59266818
2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 81169789
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603229

Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)cyclobutyl]methyl 2,2-difluoropropanoate?
The IUPAC name of [1-(hydroxymethyl)cyclobutyl]methyl 2,2-difluoropropanoate (CID 59602505) is [1-(hydroxymethyl)cyclobutyl]methyl 2,2-difluoropropanoate.
What is the SMILES notation for [1-(hydroxymethyl)cyclobutyl]methyl 2,2-difluoropropanoate?
The canonical SMILES for [1-(hydroxymethyl)cyclobutyl]methyl 2,2-difluoropropanoate is CC(F)(F)C(=O)OCC1(CO)CCC1.
What is the InChIKey of [1-(hydroxymethyl)cyclobutyl]methyl 2,2-difluoropropanoate?
The InChIKey is OFSYQCSNKORHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O3/c1-8(10,11)7(13)14-6-9(5-12)3-2-4-9/h12H,2-6H2,1H3.
What are the key properties of [1-(hydroxymethyl)cyclobutyl]methyl 2,2-difluoropropanoate?
[1-(hydroxymethyl)cyclobutyl]methyl 2,2-difluoropropanoate has a molecular weight of 208.20 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)cyclobutyl]methyl 2,2-difluoropropanoate is sourced from PubChem (CID 59602505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).