N-[[4-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C16H17F2NS — CID 115523970

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESFC(F)c1ccc(CNC2CCCc3sccc32)cc1
InChIInChI=1S/C16H17F2NS/c17-16(18)12-6-4-11(5-7-12)10-19-14-2-1-3-15-13(14)8-9-20-15/h4-9,14,16,19H,1-3,10H2
InChIKeyINWSPMFBCCDXEH-UHFFFAOYSA-N
MW293.38 g/mol
LogP4.85
Rot. Bonds4

About N-[[4-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-[[4-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 115523970) has the molecular formula C16H17F2NS and a molecular weight of 293.38 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID115523970
Molecular FormulaC16H17F2NS
Molecular Weight293.38 g/mol
Exact Mass293.10
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESFC(F)c1ccc(CNC2CCCc3sccc32)cc1
InChIInChI=1S/C16H17F2NS/c17-16(18)12-6-4-11(5-7-12)10-19-14-2-1-3-15-13(14)8-9-20-15/h4-9,14,16,19H,1-3,10H2
InChIKeyINWSPMFBCCDXEH-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 115523970) is N-[[4-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is FC(F)c1ccc(CNC2CCCc3sccc32)cc1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is INWSPMFBCCDXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NS/c17-16(18)12-6-4-11(5-7-12)10-19-14-2-1-3-15-13(14)8-9-20-15/h4-9,14,16,19H,1-3,10H2.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-[[4-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 293.38 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 115523970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).