3-[ethyl(oxolan-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol

C10H18F3NO2 — CID 63900619

IUPAC3-[ethyl(oxolan-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCN(CC1CCCO1)CC(O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-2-14(6-8-4-3-5-16-8)7-9(15)10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyREMQVRXETWRCCO-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.41
Rot. Bonds5

About 3-[ethyl(oxolan-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol

3-[ethyl(oxolan-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63900619) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[ethyl(oxolan-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[ethyl(oxolan-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID63900619
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name3-[ethyl(oxolan-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCN(CC1CCCO1)CC(O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-2-14(6-8-4-3-5-16-8)7-9(15)10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyREMQVRXETWRCCO-UHFFFAOYSA-N
XLogP1.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
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-[ethyl(oxolan-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[ethyl(oxolan-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol (CID 63900619) is 3-[ethyl(oxolan-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[ethyl(oxolan-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[ethyl(oxolan-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol is CCN(CC1CCCO1)CC(O)C(F)(F)F.
What is the InChIKey of 3-[ethyl(oxolan-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is REMQVRXETWRCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-2-14(6-8-4-3-5-16-8)7-9(15)10(11,12)13/h8-9,15H,2-7H2,1H3.
What are the key properties of 3-[ethyl(oxolan-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[ethyl(oxolan-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 241.25 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-[ethyl(oxolan-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63900619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).