3-[(3-ethoxy-2-methoxycyclobutyl)amino]-1,1,1-trifluoropropan-2-ol

C10H18F3NO3 — CID 113365383

IUPAC3-[(3-ethoxy-2-methoxycyclobutyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCOC1CC(NCC(O)C(F)(F)F)C1OC
InChIInChI=1S/C10H18F3NO3/c1-3-17-7-4-6(9(7)16-2)14-5-8(15)10(11,12)13/h6-9,14-15H,3-5H2,1-2H3
InChIKeyIGEKFDAZTWOZEJ-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.69
Rot. Bonds6

About 3-[(3-ethoxy-2-methoxycyclobutyl)amino]-1,1,1-trifluoropropan-2-ol

3-[(3-ethoxy-2-methoxycyclobutyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 113365383) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-[(3-ethoxy-2-methoxycyclobutyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(3-ethoxy-2-methoxycyclobutyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID113365383
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name3-[(3-ethoxy-2-methoxycyclobutyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCOC1CC(NCC(O)C(F)(F)F)C1OC
InChIInChI=1S/C10H18F3NO3/c1-3-17-7-4-6(9(7)16-2)14-5-8(15)10(11,12)13/h6-9,14-15H,3-5H2,1-2H3
InChIKeyIGEKFDAZTWOZEJ-UHFFFAOYSA-N
XLogP0.69
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-2-methoxycyclobutyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(3-ethoxy-2-methoxycyclobutyl)amino]-1,1,1-trifluoropropan-2-ol (CID 113365383) is 3-[(3-ethoxy-2-methoxycyclobutyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(3-ethoxy-2-methoxycyclobutyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(3-ethoxy-2-methoxycyclobutyl)amino]-1,1,1-trifluoropropan-2-ol is CCOC1CC(NCC(O)C(F)(F)F)C1OC.
What is the InChIKey of 3-[(3-ethoxy-2-methoxycyclobutyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is IGEKFDAZTWOZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-3-17-7-4-6(9(7)16-2)14-5-8(15)10(11,12)13/h6-9,14-15H,3-5H2,1-2H3.
What are the key properties of 3-[(3-ethoxy-2-methoxycyclobutyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(3-ethoxy-2-methoxycyclobutyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 257.25 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-2-methoxycyclobutyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 113365383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).