4,4-difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol

C11H23F2NO2 — CID 167099786

IUPAC4,4-difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol
SMILESCCCC(O)CNC(C)(CO)CC(C)(F)F
InChIInChI=1S/C11H23F2NO2/c1-4-5-9(16)6-14-10(2,8-15)7-11(3,12)13/h9,14-16H,4-8H2,1-3H3
InChIKeyOEHOPGUGZMMMPH-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.53
Rot. Bonds8

About 4,4-difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol

4,4-difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol (PubChem CID 167099786) has the molecular formula C11H23F2NO2 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4,4-difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name4,4-difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol
PubChem CID167099786
Molecular FormulaC11H23F2NO2
Molecular Weight239.31 g/mol
Exact Mass239.17
IUPAC Name4,4-difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol
SMILESCCCC(O)CNC(C)(CO)CC(C)(F)F
InChIInChI=1S/C11H23F2NO2/c1-4-5-9(16)6-14-10(2,8-15)7-11(3,12)13/h9,14-16H,4-8H2,1-3H3
InChIKeyOEHOPGUGZMMMPH-UHFFFAOYSA-N
XLogP1.53
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol?
The IUPAC name of 4,4-difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol (CID 167099786) is 4,4-difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 4,4-difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol?
The canonical SMILES for 4,4-difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol is CCCC(O)CNC(C)(CO)CC(C)(F)F.
What is the InChIKey of 4,4-difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol?
The InChIKey is OEHOPGUGZMMMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO2/c1-4-5-9(16)6-14-10(2,8-15)7-11(3,12)13/h9,14-16H,4-8H2,1-3H3.
What are the key properties of 4,4-difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol?
4,4-difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol has a molecular weight of 239.31 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 167099786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).