3-[(2,3-dimethyloxolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol

C9H16F3NO2 — CID 103581354

IUPAC3-[(2,3-dimethyloxolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCC1OCCC1(C)NCC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-6-8(2,3-4-15-6)13-5-7(14)9(10,11)12/h6-7,13-14H,3-5H2,1-2H3
InChIKeyNGSKZQZATYHBEW-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.07
Rot. Bonds3

About 3-[(2,3-dimethyloxolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol

3-[(2,3-dimethyloxolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103581354) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-[(2,3-dimethyloxolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(2,3-dimethyloxolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID103581354
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name3-[(2,3-dimethyloxolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCC1OCCC1(C)NCC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-6-8(2,3-4-15-6)13-5-7(14)9(10,11)12/h6-7,13-14H,3-5H2,1-2H3
InChIKeyNGSKZQZATYHBEW-UHFFFAOYSA-N
XLogP1.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethyloxolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(2,3-dimethyloxolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 103581354) is 3-[(2,3-dimethyloxolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(2,3-dimethyloxolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(2,3-dimethyloxolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol is CC1OCCC1(C)NCC(O)C(F)(F)F.
What is the InChIKey of 3-[(2,3-dimethyloxolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is NGSKZQZATYHBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-6-8(2,3-4-15-6)13-5-7(14)9(10,11)12/h6-7,13-14H,3-5H2,1-2H3.
What are the key properties of 3-[(2,3-dimethyloxolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(2,3-dimethyloxolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 227.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethyloxolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103581354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).