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

C10H18F3NO — CID 106210174

IUPAC2-methyl-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNC1(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-3-8(2,7-15)6-14-9(4-5-9)10(11,12)13/h14-15H,3-7H2,1-2H3
InChIKeyUMQQABOHYHCFIO-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.08
Rot. Bonds5

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

2-methyl-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]butan-1-ol (PubChem CID 106210174) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methyl-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]butan-1-ol
PubChem CID106210174
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-methyl-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNC1(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-3-8(2,7-15)6-14-9(4-5-9)10(11,12)13/h14-15H,3-7H2,1-2H3
InChIKeyUMQQABOHYHCFIO-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]butan-1-ol (CID 106210174) is 2-methyl-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]butan-1-ol is CCC(C)(CO)CNC1(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]butan-1-ol?
The InChIKey is UMQQABOHYHCFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-3-8(2,7-15)6-14-9(4-5-9)10(11,12)13/h14-15H,3-7H2,1-2H3.
What are the key properties of 2-methyl-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]butan-1-ol?
2-methyl-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]butan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]butan-1-ol is sourced from PubChem (CID 106210174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).