4-(ethylamino)-3-(trifluoromethyl)benzonitrile

C10H9F3N2 — CID 43687096

IUPAC4-(ethylamino)-3-(trifluoromethyl)benzonitrile
SMILESCCNc1ccc(C#N)cc1C(F)(F)F
InChIInChI=1S/C10H9F3N2/c1-2-15-9-4-3-7(6-14)5-8(9)10(11,12)13/h3-5,15H,2H2,1H3
InChIKeySDSNYVQGWAQZGW-UHFFFAOYSA-N
MW214.19 g/mol
LogP3.01
Rot. Bonds2

About 4-(ethylamino)-3-(trifluoromethyl)benzonitrile

4-(ethylamino)-3-(trifluoromethyl)benzonitrile (PubChem CID 43687096) has the molecular formula C10H9F3N2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 4-(ethylamino)-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(ethylamino)-3-(trifluoromethyl)benzonitrile
PubChem CID43687096
Molecular FormulaC10H9F3N2
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC Name4-(ethylamino)-3-(trifluoromethyl)benzonitrile
SMILESCCNc1ccc(C#N)cc1C(F)(F)F
InChIInChI=1S/C10H9F3N2/c1-2-15-9-4-3-7(6-14)5-8(9)10(11,12)13/h3-5,15H,2H2,1H3
InChIKeySDSNYVQGWAQZGW-UHFFFAOYSA-N
XLogP3.01
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(tert-butylamino)ethylamino]-3-(trifluoromethyl)benzonitrile
CID 107444968
N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide
CID 60705592
4-(pyridin-4-ylmethylamino)-3-(trifluoromethyl)benzonitrile
CID 43687047
4-[(2-hydroxyphenyl)methylamino]-3-(trifluoromethyl)benzonitrile
CID 43687054
4-[(3-methylphenyl)methylamino]-3-(trifluoromethyl)benzonitrile
CID 43687029
4-[(1-methylpyrrol-3-yl)methylamino]-3-(trifluoromethyl)benzonitrile
CID 66399170
N-[4-cyano-2-(trifluoromethyl)phenyl]formamide
CID 64992328
ethyl N-[4-cyano-2-(trifluoromethyl)phenyl]carbamate
CID 64591088
4-(1H-pyrrol-3-ylmethylamino)-3-(trifluoromethyl)benzonitrile
CID 66407199
4-(1H-pyrrol-2-ylmethylamino)-3-(trifluoromethyl)benzonitrile
CID 55060403
4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3-(trifluoromethyl)benzonitrile
CID 104769757
4-(octan-2-ylamino)-3-(trifluoromethyl)benzonitrile
CID 43687065

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(ethylamino)-3-(trifluoromethyl)benzonitrile (CID 43687096) is 4-(ethylamino)-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(ethylamino)-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(ethylamino)-3-(trifluoromethyl)benzonitrile is CCNc1ccc(C#N)cc1C(F)(F)F.
What is the InChIKey of 4-(ethylamino)-3-(trifluoromethyl)benzonitrile?
The InChIKey is SDSNYVQGWAQZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2/c1-2-15-9-4-3-7(6-14)5-8(9)10(11,12)13/h3-5,15H,2H2,1H3.
What are the key properties of 4-(ethylamino)-3-(trifluoromethyl)benzonitrile?
4-(ethylamino)-3-(trifluoromethyl)benzonitrile has a molecular weight of 214.19 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 43687096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).