[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol

C11H18F3NO2 — CID 62271123

IUPAC[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol
SMILESOCC1(CN(CC(F)(F)F)C2CC2)CCOC1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)6-15(9-1-2-9)5-10(7-16)3-4-17-8-10/h9,16H,1-8H2
InChIKeyHSBFTAUKIYCTFM-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.41
Rot. Bonds5

About [3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol

[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol (PubChem CID 62271123) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is [3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol
PubChem CID62271123
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol
SMILESOCC1(CN(CC(F)(F)F)C2CC2)CCOC1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)6-15(9-1-2-9)5-10(7-16)3-4-17-8-10/h9,16H,1-8H2
InChIKeyHSBFTAUKIYCTFM-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 [3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol?
The IUPAC name of [3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol (CID 62271123) is [3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol.
What is the SMILES notation for [3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol?
The canonical SMILES for [3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol is OCC1(CN(CC(F)(F)F)C2CC2)CCOC1.
What is the InChIKey of [3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol?
The InChIKey is HSBFTAUKIYCTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)6-15(9-1-2-9)5-10(7-16)3-4-17-8-10/h9,16H,1-8H2.
What are the key properties of [3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol?
[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol 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 [3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol is sourced from PubChem (CID 62271123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).