(5-fluoro-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine

C9H10FNO — CID 156591896

IUPAC(5-fluoro-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine
SMILESNCC1CC=C2C(F)=CC=C2O1
InChIInChI=1S/C9H10FNO/c10-8-3-4-9-7(8)2-1-6(5-11)12-9/h2-4,6H,1,5,11H2
InChIKeyWWWJODFDUFJJEE-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.41
Rot. Bonds1

About (5-fluoro-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine

(5-fluoro-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine (PubChem CID 156591896) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is (5-fluoro-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine
PubChem CID156591896
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name(5-fluoro-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine
SMILESNCC1CC=C2C(F)=CC=C2O1
InChIInChI=1S/C9H10FNO/c10-8-3-4-9-7(8)2-1-6(5-11)12-9/h2-4,6H,1,5,11H2
InChIKeyWWWJODFDUFJJEE-UHFFFAOYSA-N
XLogP1.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methanamine
CID 142279462
1-(3,3-difluoro-2H-cyclopenta[b]pyran-2-yl)ethanamine
CID 177793365
3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanamine;yttrium
CID 59106161
[4,5-Bis(ethenyl)-2,3-dihydrofuran-2-yl]methanamine
CID 144636646
2-(2,3-Dihydrocyclopenta[b]pyran-2-yl)ethan-1-amine
CID 71421263
5-Benzofuranmethanamine, 2,3-dihydro-
CID 85844459
2-(3a,7a-Dihydro-1-benzofuran-6-yl)ethanamine
CID 112711948
2-(3a,7a-Dihydro-1-benzofuran-5-yl)ethanamine
CID 112711949
[(1R)-1,3-dihydrocyclopenta[c]pyran-1-yl]methanamine
CID 124668627
[(1S)-1,3-dihydrocyclopenta[c]pyran-1-yl]methanamine
CID 124668628
5-Chloro-2,3-dihydro-4-benzofuranmethanamine
CID 170985447
5-Bromo-2,3-dihydro-7-benzofuranmethanamine
CID 170992555

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine?
The IUPAC name of (5-fluoro-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine (CID 156591896) is (5-fluoro-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine.
What is the SMILES notation for (5-fluoro-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine?
The canonical SMILES for (5-fluoro-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine is NCC1CC=C2C(F)=CC=C2O1.
What is the InChIKey of (5-fluoro-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine?
The InChIKey is WWWJODFDUFJJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-8-3-4-9-7(8)2-1-6(5-11)12-9/h2-4,6H,1,5,11H2.
What are the key properties of (5-fluoro-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine?
(5-fluoro-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine has a molecular weight of 167.18 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine is sourced from PubChem (CID 156591896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).