methyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate

C9H14F2O3 — CID 10465636

IUPACmethyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate
SMILESCOC(=O)C(F)(F)CC1COCC1C
InChIInChI=1S/C9H14F2O3/c1-6-4-14-5-7(6)3-9(10,11)8(12)13-2/h6-7H,3-5H2,1-2H3
InChIKeyKZQLCPWXBKKBAX-UHFFFAOYSA-N
MW208.20 g/mol
LogP1.47
Rot. Bonds3

About methyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate

methyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate (PubChem CID 10465636) has the molecular formula C9H14F2O3 and a molecular weight of 208.20 g/mol. Its IUPAC name is methyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate
PubChem CID10465636
Molecular FormulaC9H14F2O3
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Namemethyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate
SMILESCOC(=O)C(F)(F)CC1COCC1C
InChIInChI=1S/C9H14F2O3/c1-6-4-14-5-7(6)3-9(10,11)8(12)13-2/h6-7H,3-5H2,1-2H3
InChIKeyKZQLCPWXBKKBAX-UHFFFAOYSA-N
XLogP1.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2,2-difluoro-3-(oxan-4-yl)propanoate
CID 105461465
dimethyl 2-bromo-4,4-difluoro-2-methylpentanedioate
CID 155658067
3-methyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 101115659
methyl 2,2-difluoro-3-methoxypropanoate
CID 2769543
(4-methyloxolan-3-yl)methoxymethanedithioic acid
CID 175489217
4-(2,2,2-trifluoroethyl)oxolane-3-carboxylic acid
CID 84774751
(4-methyloxolan-3-yl)methanol
CID 53402099
[(3R,4S)-4-methyloxolan-3-yl]methanol
CID 95165244
methyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate
CID 175573583
methyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate
CID 102607468
methyl (3R,4R)-4-(2-diethoxyphosphoryl-2,2-difluoroethyl)oxolane-3-carboxylate
CID 101082236
dimethyl 2-methyl-2-[(3-methyloxiran-2-yl)methyl]propanedioate
CID 102165587

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate?
The IUPAC name of methyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate (CID 10465636) is methyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate.
What is the SMILES notation for methyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate?
The canonical SMILES for methyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate is COC(=O)C(F)(F)CC1COCC1C.
What is the InChIKey of methyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate?
The InChIKey is KZQLCPWXBKKBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O3/c1-6-4-14-5-7(6)3-9(10,11)8(12)13-2/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate?
methyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate has a molecular weight of 208.20 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate is sourced from PubChem (CID 10465636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).