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

C14H13F2NS — CID 43384394

IUPAC(2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
SMILESNC(c1cc2c(s1)CCC2)c1cc(F)ccc1F
InChIInChI=1S/C14H13F2NS/c15-9-4-5-11(16)10(7-9)14(17)13-6-8-2-1-3-12(8)18-13/h4-7,14H,1-3,17H2
InChIKeyWWRWNEJFMDKEKT-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.56
Rot. Bonds2

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

(2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine (PubChem CID 43384394) has the molecular formula C14H13F2NS and a molecular weight of 265.33 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
PubChem CID43384394
Molecular FormulaC14H13F2NS
Molecular Weight265.33 g/mol
Exact Mass265.07
IUPAC Name(2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
SMILESNC(c1cc2c(s1)CCC2)c1cc(F)ccc1F
InChIInChI=1S/C14H13F2NS/c15-9-4-5-11(16)10(7-9)14(17)13-6-8-2-1-3-12(8)18-13/h4-7,14H,1-3,17H2
InChIKeyWWRWNEJFMDKEKT-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-5-methylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 115852609
(2,5-difluorophenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 61099599
(2-chloro-4,5-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 107476054
(3-bromo-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 106647646
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050976
(4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 80536196
(4-bromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 105010507
(5-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 61102622
(2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733937
(4-fluoro-2,6-dimethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 106877226
3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol
CID 65185870
(5-bromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 43464242

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine?
The IUPAC name of (2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine (CID 43384394) is (2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine.
What is the SMILES notation for (2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine?
The canonical SMILES for (2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine is NC(c1cc2c(s1)CCC2)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine?
The InChIKey is WWRWNEJFMDKEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NS/c15-9-4-5-11(16)10(7-9)14(17)13-6-8-2-1-3-12(8)18-13/h4-7,14H,1-3,17H2.
What are the key properties of (2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine?
(2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine has a molecular weight of 265.33 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine is sourced from PubChem (CID 43384394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).