(4R,5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methyloxolan-2-one

C7H10F3NO2 — CID 130984888

IUPAC(4R,5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methyloxolan-2-one
SMILESC[C@@H]1CC(=O)O[C@H]1[C@@H](N)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-3-2-4(12)13-5(3)6(11)7(8,9)10/h3,5-6H,2,11H2,1H3/t3-,5-,6-/m1/s1
InChIKeyBFIFQKMOYAAQMD-UYFOZJQFSA-N
MW197.16 g/mol
LogP0.83
Rot. Bonds1

About (4R,5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methyloxolan-2-one

(4R,5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methyloxolan-2-one (PubChem CID 130984888) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is (4R,5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methyloxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methyloxolan-2-one
PubChem CID130984888
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name(4R,5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methyloxolan-2-one
SMILESC[C@@H]1CC(=O)O[C@H]1[C@@H](N)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-3-2-4(12)13-5(3)6(11)7(8,9)10/h3,5-6H,2,11H2,1H3/t3-,5-,6-/m1/s1
InChIKeyBFIFQKMOYAAQMD-UYFOZJQFSA-N
XLogP0.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one
CID 130982547
6-O-butyl 1-O-ethyl 2-amino-3-(trifluoromethyl)hexanedioate
CID 151311761
5-(1-Amino-2,2-difluoroethyl)oxolan-2-one
CID 129996197
5-(1-Amino-2,2,2-trifluoroethyl)-4-methyloxolan-2-one
CID 129996200
(5S)-5-[(1S)-1-amino-2,2-difluoroethyl]oxolan-2-one
CID 131214130
5-(1-Aminoethyl)-3-methyloxolan-2-one
CID 20726918
5-(1-Aminoethyl)oxolan-2-one
CID 55289249
(3R,5S)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
CID 58714848
(3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
CID 58714916
(3R)-5-[1-(diphosphanylamino)ethyl]-3-methyloxolan-2-one
CID 59977169
5-[1-(Diphosphanylamino)ethyl]-3-methyloxolan-2-one
CID 20601494
3-Methyl-5-[1-(phosphanylamino)ethyl]oxolan-2-one
CID 21062054

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methyloxolan-2-one?
The IUPAC name of (4R,5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methyloxolan-2-one (CID 130984888) is (4R,5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methyloxolan-2-one.
What is the SMILES notation for (4R,5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methyloxolan-2-one?
The canonical SMILES for (4R,5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methyloxolan-2-one is C[C@@H]1CC(=O)O[C@H]1[C@@H](N)C(F)(F)F.
What is the InChIKey of (4R,5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methyloxolan-2-one?
The InChIKey is BFIFQKMOYAAQMD-UYFOZJQFSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-3-2-4(12)13-5(3)6(11)7(8,9)10/h3,5-6H,2,11H2,1H3/t3-,5-,6-/m1/s1.
What are the key properties of (4R,5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methyloxolan-2-one?
(4R,5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methyloxolan-2-one has a molecular weight of 197.16 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methyloxolan-2-one is sourced from PubChem (CID 130984888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).