4-thiophen-2-yl-1-(2,2,2-trifluoroethoxy)butan-2-amine

C10H14F3NOS — CID 103215355

IUPAC4-thiophen-2-yl-1-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESNC(CCc1cccs1)COCC(F)(F)F
InChIInChI=1S/C10H14F3NOS/c11-10(12,13)7-15-6-8(14)3-4-9-2-1-5-16-9/h1-2,5,8H,3-4,6-7,14H2
InChIKeyNMGRJDKFWCKQGA-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.59
Rot. Bonds6

About 4-thiophen-2-yl-1-(2,2,2-trifluoroethoxy)butan-2-amine

4-thiophen-2-yl-1-(2,2,2-trifluoroethoxy)butan-2-amine (PubChem CID 103215355) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is 4-thiophen-2-yl-1-(2,2,2-trifluoroethoxy)butan-2-amine.

Molecular Properties

Compound Name4-thiophen-2-yl-1-(2,2,2-trifluoroethoxy)butan-2-amine
PubChem CID103215355
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC Name4-thiophen-2-yl-1-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESNC(CCc1cccs1)COCC(F)(F)F
InChIInChI=1S/C10H14F3NOS/c11-10(12,13)7-15-6-8(14)3-4-9-2-1-5-16-9/h1-2,5,8H,3-4,6-7,14H2
InChIKeyNMGRJDKFWCKQGA-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine
CID 115618327
1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 115346068
1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine
CID 63776300
1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711207
1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774417
4-thiophen-2-yl-2-[4-(trifluoromethyl)phenoxy]butanoic acid
CID 59215026
1-cyclohexyl-4-thiophen-2-ylbutan-2-amine
CID 115860772
1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774241
4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide
CID 81340698
N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine
CID 79952596
1-(2,2,2-trifluoroethoxy)octan-2-amine
CID 103214891
4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol
CID 116752710

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-1-(2,2,2-trifluoroethoxy)butan-2-amine?
The IUPAC name of 4-thiophen-2-yl-1-(2,2,2-trifluoroethoxy)butan-2-amine (CID 103215355) is 4-thiophen-2-yl-1-(2,2,2-trifluoroethoxy)butan-2-amine.
What is the SMILES notation for 4-thiophen-2-yl-1-(2,2,2-trifluoroethoxy)butan-2-amine?
The canonical SMILES for 4-thiophen-2-yl-1-(2,2,2-trifluoroethoxy)butan-2-amine is NC(CCc1cccs1)COCC(F)(F)F.
What is the InChIKey of 4-thiophen-2-yl-1-(2,2,2-trifluoroethoxy)butan-2-amine?
The InChIKey is NMGRJDKFWCKQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c11-10(12,13)7-15-6-8(14)3-4-9-2-1-5-16-9/h1-2,5,8H,3-4,6-7,14H2.
What are the key properties of 4-thiophen-2-yl-1-(2,2,2-trifluoroethoxy)butan-2-amine?
4-thiophen-2-yl-1-(2,2,2-trifluoroethoxy)butan-2-amine has a molecular weight of 253.29 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-1-(2,2,2-trifluoroethoxy)butan-2-amine is sourced from PubChem (CID 103215355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).