2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine

C14H15F2NS — CID 104893383

IUPAC2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
SMILESC[C@H](NCC(F)(F)c1ccccc1)c1cccs1
InChIInChI=1S/C14H15F2NS/c1-11(13-8-5-9-18-13)17-10-14(15,16)12-6-3-2-4-7-12/h2-9,11,17H,10H2,1H3/t11-/m0/s1
InChIKeyFGJYCQSPIALQNU-NSHDSACASA-N
MW267.34 g/mol
LogP4.19
Rot. Bonds5

About 2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine

2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine (PubChem CID 104893383) has the molecular formula C14H15F2NS and a molecular weight of 267.34 g/mol. Its IUPAC name is 2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
PubChem CID104893383
Molecular FormulaC14H15F2NS
Molecular Weight267.34 g/mol
Exact Mass267.09
IUPAC Name2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
SMILESC[C@H](NCC(F)(F)c1ccccc1)c1cccs1
InChIInChI=1S/C14H15F2NS/c1-11(13-8-5-9-18-13)17-10-14(15,16)12-6-3-2-4-7-12/h2-9,11,17H,10H2,1H3/t11-/m0/s1
InChIKeyFGJYCQSPIALQNU-NSHDSACASA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398287
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
2,2-difluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylethanamine
CID 104893371
2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid
CID 104643956
2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol
CID 81414185
N-[(1S)-1-(3-bromophenyl)ethyl]-2,2-difluoro-2-phenylethanamine
CID 104893366
5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine
CID 115516778
1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 115710733
(1S)-1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891288
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 28833552
(E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine
CID 81408581
3-[(2,2-difluoro-2-phenylethyl)amino]butan-1-ol
CID 116789257

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine?
The IUPAC name of 2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine (CID 104893383) is 2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine?
The canonical SMILES for 2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine is C[C@H](NCC(F)(F)c1ccccc1)c1cccs1.
What is the InChIKey of 2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine?
The InChIKey is FGJYCQSPIALQNU-NSHDSACASA-N. The full InChI is InChI=1S/C14H15F2NS/c1-11(13-8-5-9-18-13)17-10-14(15,16)12-6-3-2-4-7-12/h2-9,11,17H,10H2,1H3/t11-/m0/s1.
What are the key properties of 2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine?
2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine has a molecular weight of 267.34 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine is sourced from PubChem (CID 104893383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).