2-[2,2-difluoroethyl(4-methylpentyl)amino]ethanol

C10H21F2NO — CID 107485138

IUPAC2-[2,2-difluoroethyl(4-methylpentyl)amino]ethanol
SMILESCC(C)CCCN(CCO)CC(F)F
InChIInChI=1S/C10H21F2NO/c1-9(2)4-3-5-13(6-7-14)8-10(11)12/h9-10,14H,3-8H2,1-2H3
InChIKeyJFZKVOJRRDHJTN-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.98
Rot. Bonds8

About 2-[2,2-difluoroethyl(4-methylpentyl)amino]ethanol

2-[2,2-difluoroethyl(4-methylpentyl)amino]ethanol (PubChem CID 107485138) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(4-methylpentyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(4-methylpentyl)amino]ethanol
PubChem CID107485138
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Name2-[2,2-difluoroethyl(4-methylpentyl)amino]ethanol
SMILESCC(C)CCCN(CCO)CC(F)F
InChIInChI=1S/C10H21F2NO/c1-9(2)4-3-5-13(6-7-14)8-10(11)12/h9-10,14H,3-8H2,1-2H3
InChIKeyJFZKVOJRRDHJTN-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(4-methylpentyl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl(4-methylpentyl)amino]ethanol (CID 107485138) is 2-[2,2-difluoroethyl(4-methylpentyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl(4-methylpentyl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl(4-methylpentyl)amino]ethanol is CC(C)CCCN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(4-methylpentyl)amino]ethanol?
The InChIKey is JFZKVOJRRDHJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO/c1-9(2)4-3-5-13(6-7-14)8-10(11)12/h9-10,14H,3-8H2,1-2H3.
What are the key properties of 2-[2,2-difluoroethyl(4-methylpentyl)amino]ethanol?
2-[2,2-difluoroethyl(4-methylpentyl)amino]ethanol has a molecular weight of 209.28 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(4-methylpentyl)amino]ethanol is sourced from PubChem (CID 107485138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).