methylcyclopropane;methyl 2,2-difluoro-2-[3-(trifluoromethyl)phenyl]acetate

C14H15F5O2 — CID 176659778

IUPACmethylcyclopropane;methyl 2,2-difluoro-2-[3-(trifluoromethyl)phenyl]acetate
SMILESCC1CC1.COC(=O)C(F)(F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H7F5O2.C4H8/c1-17-8(16)9(11,12)6-3-2-4-7(5-6)10(13,14)15;1-4-2-3-4/h2-5H,1H3;4H,2-3H2,1H3
InChIKeyHVOFWVGZDDLTKC-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.39
Rot. Bonds2

About methylcyclopropane;methyl 2,2-difluoro-2-[3-(trifluoromethyl)phenyl]acetate

methylcyclopropane;methyl 2,2-difluoro-2-[3-(trifluoromethyl)phenyl]acetate (PubChem CID 176659778) has the molecular formula C14H15F5O2 and a molecular weight of 310.26 g/mol. Its IUPAC name is methylcyclopropane;methyl 2,2-difluoro-2-[3-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Namemethylcyclopropane;methyl 2,2-difluoro-2-[3-(trifluoromethyl)phenyl]acetate
PubChem CID176659778
Molecular FormulaC14H15F5O2
Molecular Weight310.26 g/mol
Exact Mass310.10
IUPAC Namemethylcyclopropane;methyl 2,2-difluoro-2-[3-(trifluoromethyl)phenyl]acetate
SMILESCC1CC1.COC(=O)C(F)(F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H7F5O2.C4H8/c1-17-8(16)9(11,12)6-3-2-4-7(5-6)10(13,14)15;1-4-2-3-4/h2-5H,1H3;4H,2-3H2,1H3
InChIKeyHVOFWVGZDDLTKC-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 145487339
CID 145487339
methyl 2,2-difluoro-2-(3-phenoxyphenyl)acetate
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methyl 2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanoate
CID 79629435
2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501324
methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate
CID 60998889
N-[(4-methylcyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of methylcyclopropane;methyl 2,2-difluoro-2-[3-(trifluoromethyl)phenyl]acetate?
The IUPAC name of methylcyclopropane;methyl 2,2-difluoro-2-[3-(trifluoromethyl)phenyl]acetate (CID 176659778) is methylcyclopropane;methyl 2,2-difluoro-2-[3-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for methylcyclopropane;methyl 2,2-difluoro-2-[3-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for methylcyclopropane;methyl 2,2-difluoro-2-[3-(trifluoromethyl)phenyl]acetate is CC1CC1.COC(=O)C(F)(F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of methylcyclopropane;methyl 2,2-difluoro-2-[3-(trifluoromethyl)phenyl]acetate?
The InChIKey is HVOFWVGZDDLTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O2.C4H8/c1-17-8(16)9(11,12)6-3-2-4-7(5-6)10(13,14)15;1-4-2-3-4/h2-5H,1H3;4H,2-3H2,1H3.
What are the key properties of methylcyclopropane;methyl 2,2-difluoro-2-[3-(trifluoromethyl)phenyl]acetate?
methylcyclopropane;methyl 2,2-difluoro-2-[3-(trifluoromethyl)phenyl]acetate has a molecular weight of 310.26 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclopropane;methyl 2,2-difluoro-2-[3-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 176659778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).