ethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate

C9H14F2O3 — CID 165466612

IUPACethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate
SMILESCCOC(=O)C(F)(F)COCC1CC1
InChIInChI=1S/C9H14F2O3/c1-2-14-8(12)9(10,11)6-13-5-7-3-4-7/h7H,2-6H2,1H3
InChIKeyKAFFCQWSPCRJHE-UHFFFAOYSA-N
MW208.20 g/mol
LogP1.61
Rot. Bonds6

About ethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate

ethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate (PubChem CID 165466612) has the molecular formula C9H14F2O3 and a molecular weight of 208.20 g/mol. Its IUPAC name is ethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate.

Molecular Properties

Compound Nameethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate
PubChem CID165466612
Molecular FormulaC9H14F2O3
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Nameethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate
SMILESCCOC(=O)C(F)(F)COCC1CC1
InChIInChI=1S/C9H14F2O3/c1-2-14-8(12)9(10,11)6-13-5-7-3-4-7/h7H,2-6H2,1H3
InChIKeyKAFFCQWSPCRJHE-UHFFFAOYSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate
CID 106931584
ethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate
CID 83212988
ethyl 2,2-difluoro-3-(2-methylpropoxy)propanoate
CID 165462467
ethyl 2,2-difluoro-3-prop-2-enoxypropanoate
CID 165466610
ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate
CID 62384132
ethyl 3-(cyclopropylamino)-2,2-difluoropropanoate
CID 143913167
ethyl 4-chloro-2,2-difluoro-4-oxobutanoate
CID 139536341
diethyl 2,2,9,9-tetrafluorodecanedioate
CID 10065200
triethyl 2-fluoroethane-1,1,1-tricarboxylate
CID 24796347
ethyl 3-(piperidin-4-ylmethoxy)propanoate
CID 83212316
3-amino-2-(cyclopropylmethoxymethyl)-2-methyl-3-oxopropanoic acid
CID 106931571
ethyl 4-(piperidin-4-ylmethoxy)butanoate
CID 71077908

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate?
The IUPAC name of ethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate (CID 165466612) is ethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate.
What is the SMILES notation for ethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate?
The canonical SMILES for ethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate is CCOC(=O)C(F)(F)COCC1CC1.
What is the InChIKey of ethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate?
The InChIKey is KAFFCQWSPCRJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O3/c1-2-14-8(12)9(10,11)6-13-5-7-3-4-7/h7H,2-6H2,1H3.
What are the key properties of ethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate?
ethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate has a molecular weight of 208.20 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate is sourced from PubChem (CID 165466612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).