2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol

C11H18F3NO2 — CID 104752603

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol
SMILESOC(CN(CC(F)(F)F)C1CC1)C1CCOC1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)7-15(9-1-2-9)5-10(16)8-3-4-17-6-8/h8-10,16H,1-7H2
InChIKeyLKBNFEDHEGVAKJ-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.41
Rot. Bonds5

About 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol

2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol (PubChem CID 104752603) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol
PubChem CID104752603
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol
SMILESOC(CN(CC(F)(F)F)C1CC1)C1CCOC1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)7-15(9-1-2-9)5-10(16)8-3-4-17-6-8/h8-10,16H,1-7H2
InChIKeyLKBNFEDHEGVAKJ-UHFFFAOYSA-N
XLogP1.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol (CID 104752603) is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol is OC(CN(CC(F)(F)F)C1CC1)C1CCOC1.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol?
The InChIKey is LKBNFEDHEGVAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)7-15(9-1-2-9)5-10(16)8-3-4-17-6-8/h8-10,16H,1-7H2.
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol?
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol has a molecular weight of 253.26 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 104752603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).