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

C8H11F2NO — CID 130665704

IUPAC(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-difluoroethanamine
SMILESCc1cc([C@@H](N)C(F)F)oc1C
InChIInChI=1S/C8H11F2NO/c1-4-3-6(12-5(4)2)7(11)8(9)10/h3,7-8H,11H2,1-2H3/t7-/m1/s1
InChIKeyHFNIERHSLRZTBK-SSDOTTSWSA-N
MW175.18 g/mol
LogP2.16
Rot. Bonds2

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

(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-difluoroethanamine (PubChem CID 130665704) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is (1R)-1-(4,5-dimethylfuran-2-yl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-difluoroethanamine
PubChem CID130665704
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-difluoroethanamine
SMILESCc1cc([C@@H](N)C(F)F)oc1C
InChIInChI=1S/C8H11F2NO/c1-4-3-6(12-5(4)2)7(11)8(9)10/h3,7-8H,11H2,1-2H3/t7-/m1/s1
InChIKeyHFNIERHSLRZTBK-SSDOTTSWSA-N
XLogP2.16
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-(4,5-dimethylfuran-2-yl)propane-1,2-diamine
CID 130804019
(1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine
CID 130668303
(1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride
CID 171213830
(1S)-1-(4,5-dimethylfuran-2-yl)-2-methylbutan-1-amine;hydrochloride
CID 171233483
(1S)-1-(4,5-dimethylfuran-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 131454371
ethyl (3S)-3-amino-3-(4,5-dimethylfuran-2-yl)-2-fluoropropanoate;hydrochloride
CID 171250992
(1R)-1-(4,5-dimethylfuran-2-yl)propan-1-amine
CID 55275935
4-amino-4-(4,5-dimethylfuran-2-yl)-3-methylbutanal
CID 174729534
(3S)-3-amino-3-(4,5-dimethylfuran-2-yl)propanenitrile
CID 131082143
(1R)-1-(4,5-dimethylfuran-2-yl)propane-1,3-diamine
CID 130856720
(4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 114248943
(R)-cyclobutyl-(4,5-dimethylfuran-2-yl)methanamine
CID 130707882

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4,5-dimethylfuran-2-yl)-2,2-difluoroethanamine?
The IUPAC name of (1R)-1-(4,5-dimethylfuran-2-yl)-2,2-difluoroethanamine (CID 130665704) is (1R)-1-(4,5-dimethylfuran-2-yl)-2,2-difluoroethanamine.
What is the SMILES notation for (1R)-1-(4,5-dimethylfuran-2-yl)-2,2-difluoroethanamine?
The canonical SMILES for (1R)-1-(4,5-dimethylfuran-2-yl)-2,2-difluoroethanamine is Cc1cc([C@@H](N)C(F)F)oc1C.
What is the InChIKey of (1R)-1-(4,5-dimethylfuran-2-yl)-2,2-difluoroethanamine?
The InChIKey is HFNIERHSLRZTBK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-4-3-6(12-5(4)2)7(11)8(9)10/h3,7-8H,11H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-(4,5-dimethylfuran-2-yl)-2,2-difluoroethanamine?
(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-difluoroethanamine has a molecular weight of 175.18 g/mol, XLogP of 2.16, 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)-2,2-difluoroethanamine is sourced from PubChem (CID 130665704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).