(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine

C11H13F2NO — CID 97358475

IUPAC(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine
SMILESC[C@H]1OCC[C@H]1Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO/c1-7-11(4-5-15-7)14-8-2-3-9(12)10(13)6-8/h2-3,6-7,11,14H,4-5H2,1H3/t7-,11-/m1/s1
InChIKeyIYWQMLDXLXNUDE-RDDDGLTNSA-N
MW213.23 g/mol
LogP2.55
Rot. Bonds2

About (2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine

(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine (PubChem CID 97358475) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is (2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine
PubChem CID97358475
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine
SMILESC[C@H]1OCC[C@H]1Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO/c1-7-11(4-5-15-7)14-8-2-3-9(12)10(13)6-8/h2-3,6-7,11,14H,4-5H2,1H3/t7-,11-/m1/s1
InChIKeyIYWQMLDXLXNUDE-RDDDGLTNSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine?
The IUPAC name of (2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine (CID 97358475) is (2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine.
What is the SMILES notation for (2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine?
The canonical SMILES for (2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine is C[C@H]1OCC[C@H]1Nc1ccc(F)c(F)c1.
What is the InChIKey of (2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine?
The InChIKey is IYWQMLDXLXNUDE-RDDDGLTNSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-7-11(4-5-15-7)14-8-2-3-9(12)10(13)6-8/h2-3,6-7,11,14H,4-5H2,1H3/t7-,11-/m1/s1.
What are the key properties of (2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine?
(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine has a molecular weight of 213.23 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 97358475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).