4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonitrile

C8H10F3NO — CID 175997297

IUPAC4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonitrile
SMILESCC1CC(C#N)OC1(C)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-5-3-6(4-12)13-7(5,2)8(9,10)11/h5-6H,3H2,1-2H3
InChIKeyPYROITWIKDAUKN-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.26
Rot. Bonds

About 4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonitrile

4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonitrile (PubChem CID 175997297) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonitrile.

Molecular Properties

Compound Name4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonitrile
PubChem CID175997297
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonitrile
SMILESCC1CC(C#N)OC1(C)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-5-3-6(4-12)13-7(5,2)8(9,10)11/h5-6H,3H2,1-2H3
InChIKeyPYROITWIKDAUKN-UHFFFAOYSA-N
XLogP2.26
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-deuterio-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 175992393
(2S)-2,3-dimethyl-2-(trifluoromethyl)oxolane
CID 156750340
5,7-dimethyl-1-oxaspiro[2.5]octane-2-carbonitrile
CID 130541974
(4R)-4-(2-fluoropropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 134946576
(2R,3S,4S,5R)-3-(3-fluoro-2,4-dimethoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonitrile
CID 176905081
(2R)-1,2-dimethyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane
CID 154974176
2,6-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine
CID 63897712
(1S)-2-(1,1-difluoroethyl)cyclopropane-1-carbonitrile
CID 138553534
(9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane
CID 135037220
cis-(1S,2S)-2-methylcyclopropane-1-carbonitrile
CID 58392287
6-(trifluoromethyl)-1-oxaspiro[2.5]octane-2-carbonitrile
CID 130542062
2-[(4R)-4-tert-butyl-6-cyano-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
CID 69230330

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonitrile?
The IUPAC name of 4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonitrile (CID 175997297) is 4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonitrile.
What is the SMILES notation for 4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonitrile?
The canonical SMILES for 4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonitrile is CC1CC(C#N)OC1(C)C(F)(F)F.
What is the InChIKey of 4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonitrile?
The InChIKey is PYROITWIKDAUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-5-3-6(4-12)13-7(5,2)8(9,10)11/h5-6H,3H2,1-2H3.
What are the key properties of 4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonitrile?
4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonitrile has a molecular weight of 193.17 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonitrile is sourced from PubChem (CID 175997297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).