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

C10H12ClF2NOS — CID 104860532

IUPAC3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1CCc2sc(Cl)cc21
InChIInChI=1S/C10H12ClF2NOS/c11-9-3-6-7(1-2-8(6)16-9)14-4-10(12,13)5-15/h3,7,14-15H,1-2,4-5H2
InChIKeyQNXRCZUCQFDFGZ-UHFFFAOYSA-N
MW267.73 g/mol
LogP2.61
Rot. Bonds4

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

3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 104860532) has the molecular formula C10H12ClF2NOS and a molecular weight of 267.73 g/mol. Its IUPAC name is 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID104860532
Molecular FormulaC10H12ClF2NOS
Molecular Weight267.73 g/mol
Exact Mass267.03
IUPAC Name3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1CCc2sc(Cl)cc21
InChIInChI=1S/C10H12ClF2NOS/c11-9-3-6-7(1-2-8(6)16-9)14-4-10(12,13)5-15/h3,7,14-15H,1-2,4-5H2
InChIKeyQNXRCZUCQFDFGZ-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81233707
2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81234125
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81246123
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-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251495
2-chloro-N-[1-(2,6-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251516
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251600
2-chloro-N-[(3-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251834
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

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-difluoropropan-1-ol (CID 104860532) is 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-difluoropropan-1-ol is OCC(F)(F)CNC1CCc2sc(Cl)cc21.
What is the InChIKey of 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is QNXRCZUCQFDFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NOS/c11-9-3-6-7(1-2-8(6)16-9)14-4-10(12,13)5-15/h3,7,14-15H,1-2,4-5H2.
What are the key properties of 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-difluoropropan-1-ol?
3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 267.73 g/mol, XLogP of 2.61, 4 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]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104860532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).