2-methyl-2-(propan-2-ylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol

C11H22F3NO2 — CID 66278156

IUPAC2-methyl-2-(propan-2-ylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
SMILESCC(C)NC(C)(CO)CCOC(C)C(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-8(2)15-10(4,7-16)5-6-17-9(3)11(12,13)14/h8-9,15-16H,5-7H2,1-4H3
InChIKeyAGYWMGQGCRVKKI-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.09
Rot. Bonds7

About 2-methyl-2-(propan-2-ylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol

2-methyl-2-(propan-2-ylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol (PubChem CID 66278156) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
PubChem CID66278156
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
SMILESCC(C)NC(C)(CO)CCOC(C)C(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-8(2)15-10(4,7-16)5-6-17-9(3)11(12,13)14/h8-9,15-16H,5-7H2,1-4H3
InChIKeyAGYWMGQGCRVKKI-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol (CID 66278156) is 2-methyl-2-(propan-2-ylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol is CC(C)NC(C)(CO)CCOC(C)C(F)(F)F.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol?
The InChIKey is AGYWMGQGCRVKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2/c1-8(2)15-10(4,7-16)5-6-17-9(3)11(12,13)14/h8-9,15-16H,5-7H2,1-4H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol?
2-methyl-2-(propan-2-ylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol has a molecular weight of 257.30 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol is sourced from PubChem (CID 66278156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).