2-amino-1,1,1-trifluoro-2-methyl-5-thiophen-2-ylpentan-3-one

C10H12F3NOS — CID 116593006

IUPAC2-amino-1,1,1-trifluoro-2-methyl-5-thiophen-2-ylpentan-3-one
SMILESCC(N)(C(=O)CCc1cccs1)C(F)(F)F
InChIInChI=1S/C10H12F3NOS/c1-9(14,10(11,12)13)8(15)5-4-7-3-2-6-16-7/h2-3,6H,4-5,14H2,1H3
InChIKeyWOZXMSUWNJCQSB-UHFFFAOYSA-N
MW251.27 g/mol
LogP2.53
Rot. Bonds4

About 2-amino-1,1,1-trifluoro-2-methyl-5-thiophen-2-ylpentan-3-one

2-amino-1,1,1-trifluoro-2-methyl-5-thiophen-2-ylpentan-3-one (PubChem CID 116593006) has the molecular formula C10H12F3NOS and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-amino-1,1,1-trifluoro-2-methyl-5-thiophen-2-ylpentan-3-one.

Molecular Properties

Compound Name2-amino-1,1,1-trifluoro-2-methyl-5-thiophen-2-ylpentan-3-one
PubChem CID116593006
Molecular FormulaC10H12F3NOS
Molecular Weight251.27 g/mol
Exact Mass251.06
IUPAC Name2-amino-1,1,1-trifluoro-2-methyl-5-thiophen-2-ylpentan-3-one
SMILESCC(N)(C(=O)CCc1cccs1)C(F)(F)F
InChIInChI=1S/C10H12F3NOS/c1-9(14,10(11,12)13)8(15)5-4-7-3-2-6-16-7/h2-3,6H,4-5,14H2,1H3
InChIKeyWOZXMSUWNJCQSB-UHFFFAOYSA-N
XLogP2.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-2-[3-(difluoromethyl)thiophen-2-yl]-5-methylcyclopent-2-en-1-one
CID 22153102
3-Amino-5-methyl-2-[3-(trifluoromethyl)thiophen-2-yl]cyclopent-2-en-1-one
CID 22153195
1,1,1-Trifluoro-3-(thiophen-2-ylmethyl)pentane-2,4-dione
CID 69293878
1,1,1-Trifluoro-2-thiophen-2-ylheptane-3,4-dione
CID 140489469
(2S)-N-fluoro-2-methyl-3-(5-methylthiophen-2-yl)propanamide
CID 153438494
3-[5-(Trifluoromethyl)thiophen-2-yl]propanamide
CID 173626545
5,5,5-Trifluoro-4-thiophen-2-ylpentan-2-one
CID 174812706
3-[3-(3,3,3-Trifluoropropyl)thiophen-2-yl]propanamide
CID 175816260
1,1,1-Trifluoro-5-thiophen-2-yl-2-(trifluoromethyl)pentan-3-one
CID 103311463
3-Amino-1-(1-benzothiophen-3-yl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 113540865
3-Amino-1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116592878
3-Amino-4,4,4-trifluoro-3-methyl-1-thiophen-2-ylbutan-2-one
CID 116592919

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,1,1-trifluoro-2-methyl-5-thiophen-2-ylpentan-3-one?
The IUPAC name of 2-amino-1,1,1-trifluoro-2-methyl-5-thiophen-2-ylpentan-3-one (CID 116593006) is 2-amino-1,1,1-trifluoro-2-methyl-5-thiophen-2-ylpentan-3-one.
What is the SMILES notation for 2-amino-1,1,1-trifluoro-2-methyl-5-thiophen-2-ylpentan-3-one?
The canonical SMILES for 2-amino-1,1,1-trifluoro-2-methyl-5-thiophen-2-ylpentan-3-one is CC(N)(C(=O)CCc1cccs1)C(F)(F)F.
What is the InChIKey of 2-amino-1,1,1-trifluoro-2-methyl-5-thiophen-2-ylpentan-3-one?
The InChIKey is WOZXMSUWNJCQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NOS/c1-9(14,10(11,12)13)8(15)5-4-7-3-2-6-16-7/h2-3,6H,4-5,14H2,1H3.
What are the key properties of 2-amino-1,1,1-trifluoro-2-methyl-5-thiophen-2-ylpentan-3-one?
2-amino-1,1,1-trifluoro-2-methyl-5-thiophen-2-ylpentan-3-one has a molecular weight of 251.27 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,1,1-trifluoro-2-methyl-5-thiophen-2-ylpentan-3-one is sourced from PubChem (CID 116593006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).