(2R)-6-(1-amino-2,2-difluoroethyl)-2-methyloxan-3-amine

C8H16F2N2O — CID 137530929

IUPAC(2R)-6-(1-amino-2,2-difluoroethyl)-2-methyloxan-3-amine
SMILESC[C@@H]1C(CCC(O1)C(C(F)F)N)N
InChIInChI=1S/C8H16F2N2O/c1-4-5(11)2-3-6(13-4)7(12)8(9)10/h4-8H,2-3,11-12H2,1H3/t4-,5?,6?,7?/m1/s1
InChIKeyBUHVTNYRFMJKKG-BJMCJPPVSA-N
MW194.22 g/mol
LogP0.20
Rot. Bonds2

About (2R)-6-(1-amino-2,2-difluoroethyl)-2-methyloxan-3-amine

(2R)-6-(1-amino-2,2-difluoroethyl)-2-methyloxan-3-amine (PubChem CID 137530929) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is (2R)-6-(1-amino-2,2-difluoroethyl)-2-methyloxan-3-amine.

Molecular Properties

Compound Name(2R)-6-(1-amino-2,2-difluoroethyl)-2-methyloxan-3-amine
PubChem CID137530929
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name(2R)-6-(1-amino-2,2-difluoroethyl)-2-methyloxan-3-amine
SMILESC[C@@H]1C(CCC(O1)C(C(F)F)N)N
InChIInChI=1S/C8H16F2N2O/c1-4-5(11)2-3-6(13-4)7(12)8(9)10/h4-8H,2-3,11-12H2,1H3/t4-,5?,6?,7?/m1/s1
InChIKeyBUHVTNYRFMJKKG-BJMCJPPVSA-N
XLogP0.20
TPSA61.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity168

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-(1-amino-2,2-difluoroethyl)-2-methyloxan-3-amine?
The IUPAC name of (2R)-6-(1-amino-2,2-difluoroethyl)-2-methyloxan-3-amine (CID 137530929) is (2R)-6-(1-amino-2,2-difluoroethyl)-2-methyloxan-3-amine.
What is the SMILES notation for (2R)-6-(1-amino-2,2-difluoroethyl)-2-methyloxan-3-amine?
The canonical SMILES for (2R)-6-(1-amino-2,2-difluoroethyl)-2-methyloxan-3-amine is C[C@@H]1C(CCC(O1)C(C(F)F)N)N.
What is the InChIKey of (2R)-6-(1-amino-2,2-difluoroethyl)-2-methyloxan-3-amine?
The InChIKey is BUHVTNYRFMJKKG-BJMCJPPVSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-4-5(11)2-3-6(13-4)7(12)8(9)10/h4-8H,2-3,11-12H2,1H3/t4-,5?,6?,7?/m1/s1.
What are the key properties of (2R)-6-(1-amino-2,2-difluoroethyl)-2-methyloxan-3-amine?
(2R)-6-(1-amino-2,2-difluoroethyl)-2-methyloxan-3-amine has a molecular weight of 194.22 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(1-amino-2,2-difluoroethyl)-2-methyloxan-3-amine is sourced from PubChem (CID 137530929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).