4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzonitrile

C10H8F3NO2 — CID 43138569

IUPAC4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(OCCO)cc1C(F)(F)F
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)9-5-8(16-4-3-15)2-1-7(9)6-14/h1-2,5,15H,3-4H2
InChIKeyITDAYQXQBVIKKA-UHFFFAOYSA-N
MW231.17 g/mol
LogP1.95
Rot. Bonds3

About 4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzonitrile

4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzonitrile (PubChem CID 43138569) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzonitrile
PubChem CID43138569
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(OCCO)cc1C(F)(F)F
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)9-5-8(16-4-3-15)2-1-7(9)6-14/h1-2,5,15H,3-4H2
InChIKeyITDAYQXQBVIKKA-UHFFFAOYSA-N
XLogP1.95
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[4-cyano-3-(trifluoromethyl)phenoxy]propoxy]-2-(trifluoromethyl)benzonitrile
CID 11546106
4-[5-[4-cyano-3-(trifluoromethyl)phenoxy]pentoxy]-2-(trifluoromethyl)benzonitrile
CID 11517854
4-(4,4,4-trifluorobutoxy)-2-(trifluoromethyl)benzonitrile
CID 82788933
4-(3-methoxypropoxy)-2-(trifluoromethyl)benzonitrile
CID 54936581
4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)benzonitrile
CID 61102092
4-(4-hydroxypentoxy)-2-(trifluoromethyl)benzonitrile
CID 11448692
4-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)benzonitrile
CID 61104600
4-[5-[4-cyano-3-(trifluoromethyl)phenoxy]hexoxy]-2-(trifluoromethyl)benzonitrile
CID 11662506
4-[4-(3-hydroxyphenyl)but-3-enoxy]-2-(trifluoromethyl)benzonitrile
CID 69110944
4-(2-piperidin-2-ylethoxy)-2-(trifluoromethyl)benzonitrile
CID 62348975
4-(1-hydroxy-3-phenoxypropan-2-yl)oxy-2-(trifluoromethyl)benzonitrile
CID 11709805
4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43138559

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzonitrile (CID 43138569) is 4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzonitrile is N#Cc1ccc(OCCO)cc1C(F)(F)F.
What is the InChIKey of 4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzonitrile?
The InChIKey is ITDAYQXQBVIKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)9-5-8(16-4-3-15)2-1-7(9)6-14/h1-2,5,15H,3-4H2.
What are the key properties of 4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzonitrile?
4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzonitrile has a molecular weight of 231.17 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 43138569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).