N-[1-(1-benzothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine

C14H14F3NS — CID 106210192

IUPACN-[1-(1-benzothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(NC1(C(F)(F)F)CC1)c1cc2ccccc2s1
InChIInChI=1S/C14H14F3NS/c1-9(18-13(6-7-13)14(15,16)17)12-8-10-4-2-3-5-11(10)19-12/h2-5,8-9,18H,6-7H2,1H3
InChIKeyXQFFTTPVUYROAT-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.65
Rot. Bonds3

About N-[1-(1-benzothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[1-(1-benzothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210192) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210192
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC NameN-[1-(1-benzothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(NC1(C(F)(F)F)CC1)c1cc2ccccc2s1
InChIInChI=1S/C14H14F3NS/c1-9(18-13(6-7-13)14(15,16)17)12-8-10-4-2-3-5-11(10)19-12/h2-5,8-9,18H,6-7H2,1H3
InChIKeyXQFFTTPVUYROAT-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210192) is N-[1-(1-benzothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[1-(1-benzothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[1-(1-benzothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine is CC(NC1(C(F)(F)F)CC1)c1cc2ccccc2s1.
What is the InChIKey of N-[1-(1-benzothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is XQFFTTPVUYROAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c1-9(18-13(6-7-13)14(15,16)17)12-8-10-4-2-3-5-11(10)19-12/h2-5,8-9,18H,6-7H2,1H3.
What are the key properties of N-[1-(1-benzothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[1-(1-benzothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 285.33 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).