2-[2,2-difluoroethyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol

C12H26F2N2O — CID 107486570

IUPAC2-[2,2-difluoroethyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol
SMILESCCNC(C)C(C)(C)CN(CCO)CC(F)F
InChIInChI=1S/C12H26F2N2O/c1-5-15-10(2)12(3,4)9-16(6-7-17)8-11(13)14/h10-11,15,17H,5-9H2,1-4H3
InChIKeyFIXFJJCQZSSLAR-UHFFFAOYSA-N
MW252.35 g/mol
LogP1.57
Rot. Bonds9

About 2-[2,2-difluoroethyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol

2-[2,2-difluoroethyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol (PubChem CID 107486570) has the molecular formula C12H26F2N2O and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol
PubChem CID107486570
Molecular FormulaC12H26F2N2O
Molecular Weight252.35 g/mol
Exact Mass252.20
IUPAC Name2-[2,2-difluoroethyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol
SMILESCCNC(C)C(C)(C)CN(CCO)CC(F)F
InChIInChI=1S/C12H26F2N2O/c1-5-15-10(2)12(3,4)9-16(6-7-17)8-11(13)14/h10-11,15,17H,5-9H2,1-4H3
InChIKeyFIXFJJCQZSSLAR-UHFFFAOYSA-N
XLogP1.57
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol (CID 107486570) is 2-[2,2-difluoroethyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol is CCNC(C)C(C)(C)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol?
The InChIKey is FIXFJJCQZSSLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26F2N2O/c1-5-15-10(2)12(3,4)9-16(6-7-17)8-11(13)14/h10-11,15,17H,5-9H2,1-4H3.
What are the key properties of 2-[2,2-difluoroethyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol?
2-[2,2-difluoroethyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol has a molecular weight of 252.35 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol is sourced from PubChem (CID 107486570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).