4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile

C12H10F3NO — CID 46181472

IUPAC4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(OC2CCC2)cc1C(F)(F)F
InChIInChI=1S/C12H10F3NO/c13-12(14,15)11-6-10(5-4-8(11)7-16)17-9-2-1-3-9/h4-6,9H,1-3H2
InChIKeyDDFNEQVDHAROLQ-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.51
Rot. Bonds2

About 4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile

4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile (PubChem CID 46181472) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile
PubChem CID46181472
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(OC2CCC2)cc1C(F)(F)F
InChIInChI=1S/C12H10F3NO/c13-12(14,15)11-6-10(5-4-8(11)7-16)17-9-2-1-3-9/h4-6,9H,1-3H2
InChIKeyDDFNEQVDHAROLQ-UHFFFAOYSA-N
XLogP3.51
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-aminocyclohexyl)oxy-2-(trifluoromethyl)benzonitrile
CID 79466047
4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile
CID 62349150
4-[5-[4-cyano-3-(trifluoromethyl)phenoxy]pentoxy]-2-(trifluoromethyl)benzonitrile
CID 11517854
4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile
CID 155219080
5-(oxetan-3-yloxy)-2-(trifluoromethyl)benzonitrile
CID 102606270
4-[3-[4-cyano-3-(trifluoromethyl)phenoxy]propoxy]-2-(trifluoromethyl)benzonitrile
CID 11546106
N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 166981032
4-(2-piperidin-2-ylethoxy)-2-(trifluoromethyl)benzonitrile
CID 62348975
4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43138559
4-(4-formylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 51051320
4-[cyclopentyl(methyl)amino]-2-(trifluoromethyl)benzonitrile
CID 11521859
2-chloro-5-cyclohexyloxybenzonitrile
CID 144584681

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile (CID 46181472) is 4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile is N#Cc1ccc(OC2CCC2)cc1C(F)(F)F.
What is the InChIKey of 4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile?
The InChIKey is DDFNEQVDHAROLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c13-12(14,15)11-6-10(5-4-8(11)7-16)17-9-2-1-3-9/h4-6,9H,1-3H2.
What are the key properties of 4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile?
4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile has a molecular weight of 241.21 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 46181472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).