1-(2-methylpropoxymethyl)-1-(trifluoromethyl)cyclopropane

C9H15F3O — CID 176677829

IUPAC1-(2-methylpropoxymethyl)-1-(trifluoromethyl)cyclopropane
SMILESCC(C)COCC1(C(F)(F)F)CC1
InChIInChI=1S/C9H15F3O/c1-7(2)5-13-6-8(3-4-8)9(10,11)12/h7H,3-6H2,1-2H3
InChIKeyXPXSHFPFPGCCSS-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.00
Rot. Bonds4

About 1-(2-methylpropoxymethyl)-1-(trifluoromethyl)cyclopropane

1-(2-methylpropoxymethyl)-1-(trifluoromethyl)cyclopropane (PubChem CID 176677829) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(2-methylpropoxymethyl)-1-(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Name1-(2-methylpropoxymethyl)-1-(trifluoromethyl)cyclopropane
PubChem CID176677829
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name1-(2-methylpropoxymethyl)-1-(trifluoromethyl)cyclopropane
SMILESCC(C)COCC1(C(F)(F)F)CC1
InChIInChI=1S/C9H15F3O/c1-7(2)5-13-6-8(3-4-8)9(10,11)12/h7H,3-6H2,1-2H3
InChIKeyXPXSHFPFPGCCSS-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-1-(2-methylpropoxymethyl)cyclobutane
CID 165411387
2-[[1-(trifluoromethyl)cyclopropyl]methoxy]propan-1-amine
CID 170758912
[1-(trifluoromethyl)cyclopropyl]methyl carbamate
CID 151400404
[1-(2-methylpropoxymethyl)cyclobutyl]methanamine
CID 97033932
1-(2-methylpropoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
CID 106212542
N-methyl-N-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine
CID 178108544
1-(bromomethyl)-1-(2-methylpropoxymethyl)cyclohexane
CID 65001890
methane;2-methyl-1-(2-methylpropoxy)propane
CID 162245040
2,2,3,3,4,4,5,5-octafluoro-1-(2-methylpropoxy)hexane
CID 19782043
2-methyl-1-(2,2,2-trichloroethoxy)propane
CID 138495364
1-(4-methylpentyl)-1-(trifluoromethyl)cyclopentane
CID 146488466
2-[1-(trifluoromethyl)cyclopropyl]acetaldehyde
CID 131117989

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxymethyl)-1-(trifluoromethyl)cyclopropane?
The IUPAC name of 1-(2-methylpropoxymethyl)-1-(trifluoromethyl)cyclopropane (CID 176677829) is 1-(2-methylpropoxymethyl)-1-(trifluoromethyl)cyclopropane.
What is the SMILES notation for 1-(2-methylpropoxymethyl)-1-(trifluoromethyl)cyclopropane?
The canonical SMILES for 1-(2-methylpropoxymethyl)-1-(trifluoromethyl)cyclopropane is CC(C)COCC1(C(F)(F)F)CC1.
What is the InChIKey of 1-(2-methylpropoxymethyl)-1-(trifluoromethyl)cyclopropane?
The InChIKey is XPXSHFPFPGCCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c1-7(2)5-13-6-8(3-4-8)9(10,11)12/h7H,3-6H2,1-2H3.
What are the key properties of 1-(2-methylpropoxymethyl)-1-(trifluoromethyl)cyclopropane?
1-(2-methylpropoxymethyl)-1-(trifluoromethyl)cyclopropane has a molecular weight of 196.21 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxymethyl)-1-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 176677829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).