3-amino-2-(2,2-difluoroethoxy)-4-methylpentan-1-ol

C8H17F2NO2 — CID 114358361

IUPAC3-amino-2-(2,2-difluoroethoxy)-4-methylpentan-1-ol
SMILESCC(C)C(N)C(CO)OCC(F)F
InChIInChI=1S/C8H17F2NO2/c1-5(2)8(11)6(3-12)13-4-7(9)10/h5-8,12H,3-4,11H2,1-2H3
InChIKeyZQDVNMRVQPUNEL-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.61
Rot. Bonds6

About 3-amino-2-(2,2-difluoroethoxy)-4-methylpentan-1-ol

3-amino-2-(2,2-difluoroethoxy)-4-methylpentan-1-ol (PubChem CID 114358361) has the molecular formula C8H17F2NO2 and a molecular weight of 197.22 g/mol. Its IUPAC name is 3-amino-2-(2,2-difluoroethoxy)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,2-difluoroethoxy)-4-methylpentan-1-ol
PubChem CID114358361
Molecular FormulaC8H17F2NO2
Molecular Weight197.22 g/mol
Exact Mass197.12
IUPAC Name3-amino-2-(2,2-difluoroethoxy)-4-methylpentan-1-ol
SMILESCC(C)C(N)C(CO)OCC(F)F
InChIInChI=1S/C8H17F2NO2/c1-5(2)8(11)6(3-12)13-4-7(9)10/h5-8,12H,3-4,11H2,1-2H3
InChIKeyZQDVNMRVQPUNEL-UHFFFAOYSA-N
XLogP0.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,2-difluoroethoxy)-4-methylpentan-1-ol?
The IUPAC name of 3-amino-2-(2,2-difluoroethoxy)-4-methylpentan-1-ol (CID 114358361) is 3-amino-2-(2,2-difluoroethoxy)-4-methylpentan-1-ol.
What is the SMILES notation for 3-amino-2-(2,2-difluoroethoxy)-4-methylpentan-1-ol?
The canonical SMILES for 3-amino-2-(2,2-difluoroethoxy)-4-methylpentan-1-ol is CC(C)C(N)C(CO)OCC(F)F.
What is the InChIKey of 3-amino-2-(2,2-difluoroethoxy)-4-methylpentan-1-ol?
The InChIKey is ZQDVNMRVQPUNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO2/c1-5(2)8(11)6(3-12)13-4-7(9)10/h5-8,12H,3-4,11H2,1-2H3.
What are the key properties of 3-amino-2-(2,2-difluoroethoxy)-4-methylpentan-1-ol?
3-amino-2-(2,2-difluoroethoxy)-4-methylpentan-1-ol has a molecular weight of 197.22 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,2-difluoroethoxy)-4-methylpentan-1-ol is sourced from PubChem (CID 114358361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).