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

C10H11ClF3NOS — CID 113348389

IUPAC3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNC1CCc2sc(Cl)cc21)C(F)(F)F
InChIInChI=1S/C10H11ClF3NOS/c11-9-3-5-6(1-2-7(5)17-9)15-4-8(16)10(12,13)14/h3,6,8,15-16H,1-2,4H2
InChIKeyQTQUXKIHGRBOEI-UHFFFAOYSA-N
MW285.72 g/mol
LogP2.90
Rot. Bonds3

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

3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 113348389) has the molecular formula C10H11ClF3NOS and a molecular weight of 285.72 g/mol. Its IUPAC name is 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID113348389
Molecular FormulaC10H11ClF3NOS
Molecular Weight285.72 g/mol
Exact Mass285.02
IUPAC Name3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNC1CCc2sc(Cl)cc21)C(F)(F)F
InChIInChI=1S/C10H11ClF3NOS/c11-9-3-5-6(1-2-7(5)17-9)15-4-8(16)10(12,13)14/h3,6,8,15-16H,1-2,4H2
InChIKeyQTQUXKIHGRBOEI-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.72
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

3-[(5-Chlorothiophen-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 61530260
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 63899636
3-[1-(5-Chlorothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 63901067
2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81246124
2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251321
2-chloro-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251487
2-chloro-N-[2-(3,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252299
2-chloro-N-[4-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252390
2-chloro-N-[3-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252392
2-chloro-N-[2-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252486
2-chloro-N-[(2,4-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252598
2-chloro-N-[(2,5-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252602

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 113348389) is 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1,1,1-trifluoropropan-2-ol is OC(CNC1CCc2sc(Cl)cc21)C(F)(F)F.
What is the InChIKey of 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is QTQUXKIHGRBOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NOS/c11-9-3-5-6(1-2-7(5)17-9)15-4-8(16)10(12,13)14/h3,6,8,15-16H,1-2,4H2.
What are the key properties of 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 285.72 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 113348389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).