2-methyl-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]butan-1-ol

C10H20F3NO — CID 115895190

IUPAC2-methyl-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNC(C)CC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-9(3,7-15)6-14-8(2)5-10(11,12)13/h8,14-15H,4-7H2,1-3H3
InChIKeyBQUWTKMGHYBNDW-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.33
Rot. Bonds6

About 2-methyl-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]butan-1-ol

2-methyl-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]butan-1-ol (PubChem CID 115895190) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-methyl-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]butan-1-ol
PubChem CID115895190
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name2-methyl-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNC(C)CC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-9(3,7-15)6-14-8(2)5-10(11,12)13/h8,14-15H,4-7H2,1-3H3
InChIKeyBQUWTKMGHYBNDW-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]butan-1-ol (CID 115895190) is 2-methyl-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]butan-1-ol is CCC(C)(CO)CNC(C)CC(F)(F)F.
What is the InChIKey of 2-methyl-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]butan-1-ol?
The InChIKey is BQUWTKMGHYBNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-4-9(3,7-15)6-14-8(2)5-10(11,12)13/h8,14-15H,4-7H2,1-3H3.
What are the key properties of 2-methyl-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]butan-1-ol?
2-methyl-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]butan-1-ol has a molecular weight of 227.27 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]butan-1-ol is sourced from PubChem (CID 115895190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).