(1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine

C8H12FNO — CID 130668303

IUPAC(1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine
SMILESCc1cc([C@@H](N)CF)oc1C
InChIInChI=1S/C8H12FNO/c1-5-3-8(7(10)4-9)11-6(5)2/h3,7H,4,10H2,1-2H3/t7-/m0/s1
InChIKeyYJKMEFKXGXLKAW-ZETCQYMHSA-N
MW157.19 g/mol
LogP1.87
Rot. Bonds2

About (1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine

(1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine (PubChem CID 130668303) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is (1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine
PubChem CID130668303
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name(1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine
SMILESCc1cc([C@@H](N)CF)oc1C
InChIInChI=1S/C8H12FNO/c1-5-3-8(7(10)4-9)11-6(5)2/h3,7H,4,10H2,1-2H3/t7-/m0/s1
InChIKeyYJKMEFKXGXLKAW-ZETCQYMHSA-N
XLogP1.87
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4,5-dimethylfuran-2-yl)propan-1-amine
CID 55275935
(1R)-1-(4,5-dimethylfuran-2-yl)propane-1,3-diamine
CID 130856720
(3S)-3-amino-3-(4,5-dimethylfuran-2-yl)propanenitrile
CID 131082143
(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-difluoroethanamine
CID 130665704
(3S)-3-amino-3-(4,5-dimethylfuran-2-yl)propanoic acid
CID 130699855
(1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride
CID 171213830
(1R,2S)-1-(4,5-dimethylfuran-2-yl)propane-1,2-diamine
CID 130804019
(1S)-1-(4,5-dimethylfuran-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 131454371
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357
3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-1-amine
CID 114248905
(4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 114248943
1-(2,6-dimethylphenyl)-2-fluoroethanamine
CID 130061517

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine?
The IUPAC name of (1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine (CID 130668303) is (1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine.
What is the SMILES notation for (1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine?
The canonical SMILES for (1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine is Cc1cc([C@@H](N)CF)oc1C.
What is the InChIKey of (1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine?
The InChIKey is YJKMEFKXGXLKAW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12FNO/c1-5-3-8(7(10)4-9)11-6(5)2/h3,7H,4,10H2,1-2H3/t7-/m0/s1.
What are the key properties of (1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine?
(1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine has a molecular weight of 157.19 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine is sourced from PubChem (CID 130668303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).