(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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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).