2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylbutan-1-ol

C9H19F2NO2 — CID 106172887

IUPAC2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNCC(F)(F)CO
InChIInChI=1S/C9H19F2NO2/c1-3-8(2,6-13)4-12-5-9(10,11)7-14/h12-14H,3-7H2,1-2H3
InChIKeyNFTKYMQENVWDCN-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.61
Rot. Bonds7

About 2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylbutan-1-ol

2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylbutan-1-ol (PubChem CID 106172887) has the molecular formula C9H19F2NO2 and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylbutan-1-ol
PubChem CID106172887
Molecular FormulaC9H19F2NO2
Molecular Weight211.25 g/mol
Exact Mass211.14
IUPAC Name2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNCC(F)(F)CO
InChIInChI=1S/C9H19F2NO2/c1-3-8(2,6-13)4-12-5-9(10,11)7-14/h12-14H,3-7H2,1-2H3
InChIKeyNFTKYMQENVWDCN-UHFFFAOYSA-N
XLogP0.61
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylbutan-1-ol (CID 106172887) is 2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNCC(F)(F)CO.
What is the InChIKey of 2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylbutan-1-ol?
The InChIKey is NFTKYMQENVWDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO2/c1-3-8(2,6-13)4-12-5-9(10,11)7-14/h12-14H,3-7H2,1-2H3.
What are the key properties of 2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylbutan-1-ol?
2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylbutan-1-ol has a molecular weight of 211.25 g/mol, XLogP of 0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 106172887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).