3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol

C11H14F3NOS — CID 63899636

IUPAC3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCc1cc2c(s1)CCC2)C(F)(F)F
InChIInChI=1S/C11H14F3NOS/c12-11(13,14)10(16)6-15-5-8-4-7-2-1-3-9(7)17-8/h4,10,15-16H,1-3,5-6H2
InChIKeySOOGJLYXWNBWLO-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.25
Rot. Bonds4

About 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol

3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 63899636) has the molecular formula C11H14F3NOS and a molecular weight of 265.30 g/mol. Its IUPAC name is 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID63899636
Molecular FormulaC11H14F3NOS
Molecular Weight265.30 g/mol
Exact Mass265.07
IUPAC Name3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCc1cc2c(s1)CCC2)C(F)(F)F
InChIInChI=1S/C11H14F3NOS/c12-11(13,14)10(16)6-15-5-8-4-7-2-1-3-9(7)17-8/h4,10,15-16H,1-3,5-6H2
InChIKeySOOGJLYXWNBWLO-UHFFFAOYSA-N
XLogP2.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 2738523
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CID 7086175
CID 7086175
CID 7086177
CID 7086177
CID 7221607
CID 7221607
CID 7221608
CID 7221608
CID 7221609
CID 7221609
CID 7221610
CID 7221610
CID 7221611
CID 7221611
CID 7221612
CID 7221612
CID 7221613
CID 7221613

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol (CID 63899636) is 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol is OC(CNCc1cc2c(s1)CCC2)C(F)(F)F.
What is the InChIKey of 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is SOOGJLYXWNBWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NOS/c12-11(13,14)10(16)6-15-5-8-4-7-2-1-3-9(7)17-8/h4,10,15-16H,1-3,5-6H2.
What are the key properties of 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol?
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 265.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63899636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).