4,4,4-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine

C11H16F3NS — CID 115898814

IUPAC4,4,4-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
SMILESCc1ccsc1CCNC(C)CC(F)(F)F
InChIInChI=1S/C11H16F3NS/c1-8-4-6-16-10(8)3-5-15-9(2)7-11(12,13)14/h4,6,9,15H,3,5,7H2,1-2H3
InChIKeyPZENYOFFVASCDM-UHFFFAOYSA-N
MW251.32 g/mol
LogP3.53
Rot. Bonds5

About 4,4,4-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine

4,4,4-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine (PubChem CID 115898814) has the molecular formula C11H16F3NS and a molecular weight of 251.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
PubChem CID115898814
Molecular FormulaC11H16F3NS
Molecular Weight251.32 g/mol
Exact Mass251.10
IUPAC Name4,4,4-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
SMILESCc1ccsc1CCNC(C)CC(F)(F)F
InChIInChI=1S/C11H16F3NS/c1-8-4-6-16-10(8)3-5-15-9(2)7-11(12,13)14/h4,6,9,15H,3,5,7H2,1-2H3
InChIKeyPZENYOFFVASCDM-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 115898789
2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115258076
N-[(3-ethylthiophen-2-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 115727638
1-(furan-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115898792
1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115898804
2-methyl-3-[2-(3-methylthiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 115164366
(1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 103693064
2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
CID 115216347
1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115898820
2-(3-bromobutyl)-3-methylthiophene
CID 79994830
2-[2-(3-methylthiophen-2-yl)ethylamino]acetonitrile
CID 115131313
3-(3-methylthiophen-2-yl)propan-1-ol
CID 55267212

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine (CID 115898814) is 4,4,4-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine is Cc1ccsc1CCNC(C)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine?
The InChIKey is PZENYOFFVASCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NS/c1-8-4-6-16-10(8)3-5-15-9(2)7-11(12,13)14/h4,6,9,15H,3,5,7H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine?
4,4,4-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine has a molecular weight of 251.32 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine is sourced from PubChem (CID 115898814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).