5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine

C15H14F3NOS — CID 115854012

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1cccc(OC(F)(F)F)c1)c1cc2c(s1)CCC2
InChIInChI=1S/C15H14F3NOS/c16-15(17,18)20-11-5-1-4-10(7-11)14(19)13-8-9-3-2-6-12(9)21-13/h1,4-5,7-8,14H,2-3,6,19H2
InChIKeyZYPZDBBPSBBHIC-UHFFFAOYSA-N
MW313.34 g/mol
LogP4.18
Rot. Bonds3

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine (PubChem CID 115854012) has the molecular formula C15H14F3NOS and a molecular weight of 313.34 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
PubChem CID115854012
Molecular FormulaC15H14F3NOS
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1cccc(OC(F)(F)F)c1)c1cc2c(s1)CCC2
InChIInChI=1S/C15H14F3NOS/c16-15(17,18)20-11-5-1-4-10(7-11)14(19)13-8-9-3-2-6-12(9)21-13/h1,4-5,7-8,14H,2-3,6,19H2
InChIKeyZYPZDBBPSBBHIC-UHFFFAOYSA-N
XLogP4.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-tetrahydro-1-benzothiophen-2-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 115850597
(3-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 105051653
(4,5-dibromothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 115854014
thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
CID 55132689
(2,5-dibromothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 107968244
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methoxy-3-methylphenyl)methanamine
CID 43464848
(2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916544
(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 171249830
(3-bromo-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 106647646
(4-butan-2-ylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 43464272
(S)-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171242513
(S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171241669

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine (CID 115854012) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine is NC(c1cccc(OC(F)(F)F)c1)c1cc2c(s1)CCC2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is ZYPZDBBPSBBHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NOS/c16-15(17,18)20-11-5-1-4-10(7-11)14(19)13-8-9-3-2-6-12(9)21-13/h1,4-5,7-8,14H,2-3,6,19H2.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 313.34 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 115854012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).