2-[2,2-difluoroethyl-[(5-methyloxolan-2-yl)methyl]amino]ethanol

C10H19F2NO2 — CID 107485385

IUPAC2-[2,2-difluoroethyl-[(5-methyloxolan-2-yl)methyl]amino]ethanol
SMILESCC1CCC(CN(CCO)CC(F)F)O1
InChIInChI=1S/C10H19F2NO2/c1-8-2-3-9(15-8)6-13(4-5-14)7-10(11)12/h8-10,14H,2-7H2,1H3
InChIKeyFLMJNURHCHFOJG-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.11
Rot. Bonds6

About 2-[2,2-difluoroethyl-[(5-methyloxolan-2-yl)methyl]amino]ethanol

2-[2,2-difluoroethyl-[(5-methyloxolan-2-yl)methyl]amino]ethanol (PubChem CID 107485385) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[(5-methyloxolan-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[(5-methyloxolan-2-yl)methyl]amino]ethanol
PubChem CID107485385
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name2-[2,2-difluoroethyl-[(5-methyloxolan-2-yl)methyl]amino]ethanol
SMILESCC1CCC(CN(CCO)CC(F)F)O1
InChIInChI=1S/C10H19F2NO2/c1-8-2-3-9(15-8)6-13(4-5-14)7-10(11)12/h8-10,14H,2-7H2,1H3
InChIKeyFLMJNURHCHFOJG-UHFFFAOYSA-N
XLogP1.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[(5-methyloxolan-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[(5-methyloxolan-2-yl)methyl]amino]ethanol (CID 107485385) is 2-[2,2-difluoroethyl-[(5-methyloxolan-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[(5-methyloxolan-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[(5-methyloxolan-2-yl)methyl]amino]ethanol is CC1CCC(CN(CCO)CC(F)F)O1.
What is the InChIKey of 2-[2,2-difluoroethyl-[(5-methyloxolan-2-yl)methyl]amino]ethanol?
The InChIKey is FLMJNURHCHFOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-8-2-3-9(15-8)6-13(4-5-14)7-10(11)12/h8-10,14H,2-7H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-[(5-methyloxolan-2-yl)methyl]amino]ethanol?
2-[2,2-difluoroethyl-[(5-methyloxolan-2-yl)methyl]amino]ethanol has a molecular weight of 223.26 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[(5-methyloxolan-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 107485385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).