2,2-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methyl]ethanamine

C14H12F5NS — CID 114749096

IUPAC2,2-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methyl]ethanamine
SMILESFC(F)CNCc1cscc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F5NS/c15-13(16)6-20-5-10-7-21-8-12(10)9-1-3-11(4-2-9)14(17,18)19/h1-4,7-8,13,20H,5-6H2
InChIKeyCGGXLPHUBBXBDB-UHFFFAOYSA-N
MW321.31 g/mol
LogP4.79
Rot. Bonds5

About 2,2-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methyl]ethanamine

2,2-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methyl]ethanamine (PubChem CID 114749096) has the molecular formula C14H12F5NS and a molecular weight of 321.31 g/mol. Its IUPAC name is 2,2-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methyl]ethanamine
PubChem CID114749096
Molecular FormulaC14H12F5NS
Molecular Weight321.31 g/mol
Exact Mass321.06
IUPAC Name2,2-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methyl]ethanamine
SMILESFC(F)CNCc1cscc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F5NS/c15-13(16)6-20-5-10-7-21-8-12(10)9-1-3-11(4-2-9)14(17,18)19/h1-4,7-8,13,20H,5-6H2
InChIKeyCGGXLPHUBBXBDB-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[[4-(4-fluorophenyl)thiophen-3-yl]methyl]ethanamine
CID 114749148
2-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]thiophen-3-yl]benzene-1,4-diamine
CID 23286899
3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene
CID 102358532
N-[(4-tert-butylphenyl)methyl]-2,2-difluoroethanamine
CID 115405867
2-[[2-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetamide
CID 19105323
3-(4-fluorophenoxy)-4-[4-(trifluoromethyl)phenyl]thiophene
CID 56991558
2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine
CID 60922653
2,2-diethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 71521606
1-methoxy-3-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylamino]propan-2-ol
CID 111425264
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
1-(difluoromethyl)-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene
CID 134629075
1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
CID 66159705

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methyl]ethanamine (CID 114749096) is 2,2-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methyl]ethanamine is FC(F)CNCc1cscc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,2-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methyl]ethanamine?
The InChIKey is CGGXLPHUBBXBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F5NS/c15-13(16)6-20-5-10-7-21-8-12(10)9-1-3-11(4-2-9)14(17,18)19/h1-4,7-8,13,20H,5-6H2.
What are the key properties of 2,2-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methyl]ethanamine?
2,2-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methyl]ethanamine has a molecular weight of 321.31 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methyl]ethanamine is sourced from PubChem (CID 114749096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).