5-[ethyl(propyl)amino]-3-(trifluoromethyl)thiophene-2-carbonitrile

C11H13F3N2S — CID 66687030

IUPAC5-[ethyl(propyl)amino]-3-(trifluoromethyl)thiophene-2-carbonitrile
SMILESCCCN(CC)c1cc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C11H13F3N2S/c1-3-5-16(4-2)10-6-8(11(12,13)14)9(7-15)17-10/h6H,3-5H2,1-2H3
InChIKeyYTANSSVJYDSTEK-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.87
Rot. Bonds4

About 5-[ethyl(propyl)amino]-3-(trifluoromethyl)thiophene-2-carbonitrile

5-[ethyl(propyl)amino]-3-(trifluoromethyl)thiophene-2-carbonitrile (PubChem CID 66687030) has the molecular formula C11H13F3N2S and a molecular weight of 262.30 g/mol. Its IUPAC name is 5-[ethyl(propyl)amino]-3-(trifluoromethyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[ethyl(propyl)amino]-3-(trifluoromethyl)thiophene-2-carbonitrile
PubChem CID66687030
Molecular FormulaC11H13F3N2S
Molecular Weight262.30 g/mol
Exact Mass262.08
IUPAC Name5-[ethyl(propyl)amino]-3-(trifluoromethyl)thiophene-2-carbonitrile
SMILESCCCN(CC)c1cc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C11H13F3N2S/c1-3-5-16(4-2)10-6-8(11(12,13)14)9(7-15)17-10/h6H,3-5H2,1-2H3
InChIKeyYTANSSVJYDSTEK-UHFFFAOYSA-N
XLogP3.87
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(propyl)amino]-3-(trifluoromethyl)thiophene-2-carbonitrile?
The IUPAC name of 5-[ethyl(propyl)amino]-3-(trifluoromethyl)thiophene-2-carbonitrile (CID 66687030) is 5-[ethyl(propyl)amino]-3-(trifluoromethyl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-[ethyl(propyl)amino]-3-(trifluoromethyl)thiophene-2-carbonitrile?
The canonical SMILES for 5-[ethyl(propyl)amino]-3-(trifluoromethyl)thiophene-2-carbonitrile is CCCN(CC)c1cc(C(F)(F)F)c(C#N)s1.
What is the InChIKey of 5-[ethyl(propyl)amino]-3-(trifluoromethyl)thiophene-2-carbonitrile?
The InChIKey is YTANSSVJYDSTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2S/c1-3-5-16(4-2)10-6-8(11(12,13)14)9(7-15)17-10/h6H,3-5H2,1-2H3.
What are the key properties of 5-[ethyl(propyl)amino]-3-(trifluoromethyl)thiophene-2-carbonitrile?
5-[ethyl(propyl)amino]-3-(trifluoromethyl)thiophene-2-carbonitrile has a molecular weight of 262.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(propyl)amino]-3-(trifluoromethyl)thiophene-2-carbonitrile is sourced from PubChem (CID 66687030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).