4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol

C12H25F3N2O — CID 64825293

IUPAC4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCCN(CCC(C)(CO)NC(C)C)CC(F)(F)F
InChIInChI=1S/C12H25F3N2O/c1-5-17(8-12(13,14)15)7-6-11(4,9-18)16-10(2)3/h10,16,18H,5-9H2,1-4H3
InChIKeyPMPUKBLUKJBPNZ-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.01
Rot. Bonds8

About 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol

4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64825293) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
PubChem CID64825293
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC Name4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCCN(CCC(C)(CO)NC(C)C)CC(F)(F)F
InChIInChI=1S/C12H25F3N2O/c1-5-17(8-12(13,14)15)7-6-11(4,9-18)16-10(2)3/h10,16,18H,5-9H2,1-4H3
InChIKeyPMPUKBLUKJBPNZ-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol (CID 64825293) is 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol is CCN(CCC(C)(CO)NC(C)C)CC(F)(F)F.
What is the InChIKey of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is PMPUKBLUKJBPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2O/c1-5-17(8-12(13,14)15)7-6-11(4,9-18)16-10(2)3/h10,16,18H,5-9H2,1-4H3.
What are the key properties of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol?
4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 270.34 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64825293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).