2-methyl-2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol

C13H24F3NO — CID 81412550

IUPAC2-methyl-2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-3-12(2,9-18)8-17-11-6-4-5-10(7-11)13(14,15)16/h10-11,17-18H,3-9H2,1-2H3
InChIKeyIFEDZRMMKARIAO-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.11
Rot. Bonds5

About 2-methyl-2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol

2-methyl-2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol (PubChem CID 81412550) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methyl-2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol
PubChem CID81412550
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name2-methyl-2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-3-12(2,9-18)8-17-11-6-4-5-10(7-11)13(14,15)16/h10-11,17-18H,3-9H2,1-2H3
InChIKeyIFEDZRMMKARIAO-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol (CID 81412550) is 2-methyl-2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol is CCC(C)(CO)CNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-methyl-2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol?
The InChIKey is IFEDZRMMKARIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-12(2,9-18)8-17-11-6-4-5-10(7-11)13(14,15)16/h10-11,17-18H,3-9H2,1-2H3.
What are the key properties of 2-methyl-2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol?
2-methyl-2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol is sourced from PubChem (CID 81412550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).