N-butyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide

C14H20F3NOS — CID 78868550

IUPACN-butyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CCCc1cccs1
InChIInChI=1S/C14H20F3NOS/c1-2-3-9-18(11-14(15,16)17)13(19)8-4-6-12-7-5-10-20-12/h5,7,10H,2-4,6,8-9,11H2,1H3
InChIKeyDDHDTNJPOKOERN-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.26
Rot. Bonds8

About N-butyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide

N-butyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 78868550) has the molecular formula C14H20F3NOS and a molecular weight of 307.38 g/mol. Its IUPAC name is N-butyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-butyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID78868550
Molecular FormulaC14H20F3NOS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC NameN-butyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CCCc1cccs1
InChIInChI=1S/C14H20F3NOS/c1-2-3-9-18(11-14(15,16)17)13(19)8-4-6-12-7-5-10-20-12/h5,7,10H,2-4,6,8-9,11H2,1H3
InChIKeyDDHDTNJPOKOERN-UHFFFAOYSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-butyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide (CID 78868550) is N-butyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-butyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-butyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide is CCCCN(CC(F)(F)F)C(=O)CCCc1cccs1.
What is the InChIKey of N-butyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is DDHDTNJPOKOERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NOS/c1-2-3-9-18(11-14(15,16)17)13(19)8-4-6-12-7-5-10-20-12/h5,7,10H,2-4,6,8-9,11H2,1H3.
What are the key properties of N-butyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
N-butyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 307.38 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 78868550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).