2,2-difluoro-3-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol

C12H17F2NO2 — CID 104857807

IUPAC2,2-difluoro-3-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
SMILESCOCc1cccc(CNCC(F)(F)CO)c1
InChIInChI=1S/C12H17F2NO2/c1-17-7-11-4-2-3-10(5-11)6-15-8-12(13,14)9-16/h2-5,15-16H,6-9H2,1H3
InChIKeyZSUTUIBLGODHEL-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.55
Rot. Bonds7

About 2,2-difluoro-3-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol

2,2-difluoro-3-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol (PubChem CID 104857807) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2,2-difluoro-3-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
PubChem CID104857807
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name2,2-difluoro-3-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
SMILESCOCc1cccc(CNCC(F)(F)CO)c1
InChIInChI=1S/C12H17F2NO2/c1-17-7-11-4-2-3-10(5-11)6-15-8-12(13,14)9-16/h2-5,15-16H,6-9H2,1H3
InChIKeyZSUTUIBLGODHEL-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol (CID 104857807) is 2,2-difluoro-3-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol is COCc1cccc(CNCC(F)(F)CO)c1.
What is the InChIKey of 2,2-difluoro-3-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol?
The InChIKey is ZSUTUIBLGODHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-17-7-11-4-2-3-10(5-11)6-15-8-12(13,14)9-16/h2-5,15-16H,6-9H2,1H3.
What are the key properties of 2,2-difluoro-3-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol?
2,2-difluoro-3-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol has a molecular weight of 245.27 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 104857807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).