N-(1-benzothiophen-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine

C13H12F3NS — CID 114158577

IUPACN-(1-benzothiophen-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCc2csc3ccccc23)CC1
InChIInChI=1S/C13H12F3NS/c14-13(15,16)12(5-6-12)17-7-9-8-18-11-4-2-1-3-10(9)11/h1-4,8,17H,5-7H2
InChIKeyMWFLBVZNBFDOMW-UHFFFAOYSA-N
MW271.31 g/mol
LogP4.09
Rot. Bonds3

About N-(1-benzothiophen-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine

N-(1-benzothiophen-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 114158577) has the molecular formula C13H12F3NS and a molecular weight of 271.31 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID114158577
Molecular FormulaC13H12F3NS
Molecular Weight271.31 g/mol
Exact Mass271.06
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCc2csc3ccccc23)CC1
InChIInChI=1S/C13H12F3NS/c14-13(15,16)12(5-6-12)17-7-9-8-18-11-4-2-1-3-10(9)11/h1-4,8,17H,5-7H2
InChIKeyMWFLBVZNBFDOMW-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210231
N-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine
CID 115768581
3-(2,2,2-trifluoroethyl)-1-benzothiophene
CID 116932204
1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719584
[1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol
CID 79479191
N-(1-benzothiophen-3-ylmethyl)-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030020
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
2-(1-benzothiophen-3-ylmethylamino)ethanol
CID 60705162
N-(1-benzothiophen-3-ylmethyl)-2,4,4-trimethylpentan-2-amine
CID 63445924
N-(1-benzothiophen-3-ylmethyl)cycloheptanamine
CID 55199785
[3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
CID 105215688

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine (CID 114158577) is N-(1-benzothiophen-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine is FC(F)(F)C1(NCc2csc3ccccc23)CC1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is MWFLBVZNBFDOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NS/c14-13(15,16)12(5-6-12)17-7-9-8-18-11-4-2-1-3-10(9)11/h1-4,8,17H,5-7H2.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
N-(1-benzothiophen-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 271.31 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 114158577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).