3-[2-methylpentyl(2,2,2-trifluoroethyl)amino]propan-1-ol

C11H22F3NO — CID 115903902

IUPAC3-[2-methylpentyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCCCC(C)CN(CCCO)CC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-5-10(2)8-15(6-4-7-16)9-11(12,13)14/h10,16H,3-9H2,1-2H3
InChIKeyLJRCWEYQLPZTHQ-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.67
Rot. Bonds8

About 3-[2-methylpentyl(2,2,2-trifluoroethyl)amino]propan-1-ol

3-[2-methylpentyl(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 115903902) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 3-[2-methylpentyl(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[2-methylpentyl(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID115903902
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name3-[2-methylpentyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCCCC(C)CN(CCCO)CC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-5-10(2)8-15(6-4-7-16)9-11(12,13)14/h10,16H,3-9H2,1-2H3
InChIKeyLJRCWEYQLPZTHQ-UHFFFAOYSA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpentyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 3-[2-methylpentyl(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 115903902) is 3-[2-methylpentyl(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[2-methylpentyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 3-[2-methylpentyl(2,2,2-trifluoroethyl)amino]propan-1-ol is CCCC(C)CN(CCCO)CC(F)(F)F.
What is the InChIKey of 3-[2-methylpentyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is LJRCWEYQLPZTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-3-5-10(2)8-15(6-4-7-16)9-11(12,13)14/h10,16H,3-9H2,1-2H3.
What are the key properties of 3-[2-methylpentyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
3-[2-methylpentyl(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 241.30 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpentyl(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 115903902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).