N-[(5-phenylthiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C15H14F3NS — CID 106210126

IUPACN-[(5-phenylthiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCc2ccc(-c3ccccc3)s2)CC1
InChIInChI=1S/C15H14F3NS/c16-15(17,18)14(8-9-14)19-10-12-6-7-13(20-12)11-4-2-1-3-5-11/h1-7,19H,8-10H2
InChIKeyHZIRZNPGRYXBFG-UHFFFAOYSA-N
MW297.34 g/mol
LogP4.60
Rot. Bonds4

About N-[(5-phenylthiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[(5-phenylthiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210126) has the molecular formula C15H14F3NS and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[(5-phenylthiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(5-phenylthiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210126
Molecular FormulaC15H14F3NS
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-[(5-phenylthiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCc2ccc(-c3ccccc3)s2)CC1
InChIInChI=1S/C15H14F3NS/c16-15(17,18)14(8-9-14)19-10-12-6-7-13(20-12)11-4-2-1-3-5-11/h1-7,19H,8-10H2
InChIKeyHZIRZNPGRYXBFG-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-phenylthiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[(5-phenylthiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210126) is N-[(5-phenylthiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(5-phenylthiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[(5-phenylthiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is FC(F)(F)C1(NCc2ccc(-c3ccccc3)s2)CC1.
What is the InChIKey of N-[(5-phenylthiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is HZIRZNPGRYXBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NS/c16-15(17,18)14(8-9-14)19-10-12-6-7-13(20-12)11-4-2-1-3-5-11/h1-7,19H,8-10H2.
What are the key properties of N-[(5-phenylthiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[(5-phenylthiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 297.34 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenylthiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).