2-(2,2-difluoroethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline

C14H19F2NO2 — CID 164635657

IUPAC2-(2,2-difluoroethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline
SMILESFC(F)COc1ccccc1NCC[C@H]1CCCO1
InChIInChI=1S/C14H19F2NO2/c15-14(16)10-19-13-6-2-1-5-12(13)17-8-7-11-4-3-9-18-11/h1-2,5-6,11,14,17H,3-4,7-10H2/t11-/m1/s1
InChIKeyUENBTVPTTXFDSI-LLVKDONJSA-N
MW271.31 g/mol
LogP3.31
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline

2-(2,2-difluoroethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline (PubChem CID 164635657) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline
PubChem CID164635657
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-(2,2-difluoroethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline
SMILESFC(F)COc1ccccc1NCC[C@H]1CCCO1
InChIInChI=1S/C14H19F2NO2/c15-14(16)10-19-13-6-2-1-5-12(13)17-8-7-11-4-3-9-18-11/h1-2,5-6,11,14,17H,3-4,7-10H2/t11-/m1/s1
InChIKeyUENBTVPTTXFDSI-LLVKDONJSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline (CID 164635657) is 2-(2,2-difluoroethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline is FC(F)COc1ccccc1NCC[C@H]1CCCO1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline?
The InChIKey is UENBTVPTTXFDSI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19F2NO2/c15-14(16)10-19-13-6-2-1-5-12(13)17-8-7-11-4-3-9-18-11/h1-2,5-6,11,14,17H,3-4,7-10H2/t11-/m1/s1.
What are the key properties of 2-(2,2-difluoroethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline?
2-(2,2-difluoroethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline has a molecular weight of 271.31 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline is sourced from PubChem (CID 164635657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).