fluoroethane;fluoromethyl 2,2-dimethylbutanoate

C9H18F2O2 — CID 91194207

IUPACfluoroethane;fluoromethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCF.CCF
InChIInChI=1S/C7H13FO2.C2H5F/c1-4-7(2,3)6(9)10-5-8;1-2-3/h4-5H2,1-3H3;2H2,1H3
InChIKeyOFNMFVZRIIHHFY-UHFFFAOYSA-N
MW196.24 g/mol
LogP2.87
Rot. Bonds3

About fluoroethane;fluoromethyl 2,2-dimethylbutanoate

fluoroethane;fluoromethyl 2,2-dimethylbutanoate (PubChem CID 91194207) has the molecular formula C9H18F2O2 and a molecular weight of 196.24 g/mol. Its IUPAC name is fluoroethane;fluoromethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Namefluoroethane;fluoromethyl 2,2-dimethylbutanoate
PubChem CID91194207
Molecular FormulaC9H18F2O2
Molecular Weight196.24 g/mol
Exact Mass196.13
IUPAC Namefluoroethane;fluoromethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCF.CCF
InChIInChI=1S/C7H13FO2.C2H5F/c1-4-7(2,3)6(9)10-5-8;1-2-3/h4-5H2,1-3H3;2H2,1H3
InChIKeyOFNMFVZRIIHHFY-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

iodomethyl 2,2-dimethylbutanoate
CID 14459667
ethyl 2,2-dimethylbutanoate
CID 20744002
methoxymethyl 2,2-dimethylbutanoate
CID 18731138
13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
2,2,3,3,3-pentafluoropropyl 2,2-dimethylbutanoate
CID 59693462
[2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethyl]sulfonyloxidanium
CID 123275050
3,3-dimethylbutyl 2,2-dimethylbutanoate
CID 59126222
2-hydroxyprop-2-enyl 2,2-dimethylbutanoate
CID 87159504
prop-2-enyl 2,2-dimethylbutanoate
CID 18714422
2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl 2,2-dimethylbutanoate
CID 87414406
[ethoxy(dimethyl)silyl]methyl 2,2-dimethylbutanoate
CID 140870325
pentyl 2,2-dimethylbutanoate
CID 59940538

Frequently Asked Questions

What is the IUPAC name of fluoroethane;fluoromethyl 2,2-dimethylbutanoate?
The IUPAC name of fluoroethane;fluoromethyl 2,2-dimethylbutanoate (CID 91194207) is fluoroethane;fluoromethyl 2,2-dimethylbutanoate.
What is the SMILES notation for fluoroethane;fluoromethyl 2,2-dimethylbutanoate?
The canonical SMILES for fluoroethane;fluoromethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCF.CCF.
What is the InChIKey of fluoroethane;fluoromethyl 2,2-dimethylbutanoate?
The InChIKey is OFNMFVZRIIHHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2.C2H5F/c1-4-7(2,3)6(9)10-5-8;1-2-3/h4-5H2,1-3H3;2H2,1H3.
What are the key properties of fluoroethane;fluoromethyl 2,2-dimethylbutanoate?
fluoroethane;fluoromethyl 2,2-dimethylbutanoate has a molecular weight of 196.24 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroethane;fluoromethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 91194207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).