4-[ethyl(2-methylpropyl)amino]-1,1,1-trifluorobutan-2-ol

C10H20F3NO — CID 166556670

IUPAC4-[ethyl(2-methylpropyl)amino]-1,1,1-trifluorobutan-2-ol
SMILESCCN(CCC(O)C(F)(F)F)CC(C)C
InChIInChI=1S/C10H20F3NO/c1-4-14(7-8(2)3)6-5-9(15)10(11,12)13/h8-9,15H,4-7H2,1-3H3
InChIKeyFOTCRHNLAFVTAE-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.28
Rot. Bonds6

About 4-[ethyl(2-methylpropyl)amino]-1,1,1-trifluorobutan-2-ol

4-[ethyl(2-methylpropyl)amino]-1,1,1-trifluorobutan-2-ol (PubChem CID 166556670) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-[ethyl(2-methylpropyl)amino]-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name4-[ethyl(2-methylpropyl)amino]-1,1,1-trifluorobutan-2-ol
PubChem CID166556670
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name4-[ethyl(2-methylpropyl)amino]-1,1,1-trifluorobutan-2-ol
SMILESCCN(CCC(O)C(F)(F)F)CC(C)C
InChIInChI=1S/C10H20F3NO/c1-4-14(7-8(2)3)6-5-9(15)10(11,12)13/h8-9,15H,4-7H2,1-3H3
InChIKeyFOTCRHNLAFVTAE-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylpropyl)amino]-1,1,1-trifluorobutan-2-ol?
The IUPAC name of 4-[ethyl(2-methylpropyl)amino]-1,1,1-trifluorobutan-2-ol (CID 166556670) is 4-[ethyl(2-methylpropyl)amino]-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for 4-[ethyl(2-methylpropyl)amino]-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for 4-[ethyl(2-methylpropyl)amino]-1,1,1-trifluorobutan-2-ol is CCN(CCC(O)C(F)(F)F)CC(C)C.
What is the InChIKey of 4-[ethyl(2-methylpropyl)amino]-1,1,1-trifluorobutan-2-ol?
The InChIKey is FOTCRHNLAFVTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-4-14(7-8(2)3)6-5-9(15)10(11,12)13/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 4-[ethyl(2-methylpropyl)amino]-1,1,1-trifluorobutan-2-ol?
4-[ethyl(2-methylpropyl)amino]-1,1,1-trifluorobutan-2-ol has a molecular weight of 227.27 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylpropyl)amino]-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 166556670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).