propane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol

C13H26F3NO — CID 163397426

IUPACpropane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol
SMILESCC1CC(C(O)C(F)(F)F)N(C(C)C)C1.CCC
InChIInChI=1S/C10H18F3NO.C3H8/c1-6(2)14-5-7(3)4-8(14)9(15)10(11,12)13;1-3-2/h6-9,15H,4-5H2,1-3H3;3H2,1-2H3
InChIKeySMPVYVFEAGMGII-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.44
Rot. Bonds2

About propane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol

propane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol (PubChem CID 163397426) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is propane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol.

Molecular Properties

Compound Namepropane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol
PubChem CID163397426
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Namepropane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol
SMILESCC1CC(C(O)C(F)(F)F)N(C(C)C)C1.CCC
InChIInChI=1S/C10H18F3NO.C3H8/c1-6(2)14-5-7(3)4-8(14)9(15)10(11,12)13;1-3-2/h6-9,15H,4-5H2,1-3H3;3H2,1-2H3
InChIKeySMPVYVFEAGMGII-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol?
The IUPAC name of propane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol (CID 163397426) is propane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol.
What is the SMILES notation for propane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol?
The canonical SMILES for propane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol is CC1CC(C(O)C(F)(F)F)N(C(C)C)C1.CCC.
What is the InChIKey of propane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol?
The InChIKey is SMPVYVFEAGMGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO.C3H8/c1-6(2)14-5-7(3)4-8(14)9(15)10(11,12)13;1-3-2/h6-9,15H,4-5H2,1-3H3;3H2,1-2H3.
What are the key properties of propane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol?
propane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol has a molecular weight of 269.35 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol is sourced from PubChem (CID 163397426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).