3-[bis(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol

C11H22F3NO — CID 63900403

IUPAC3-[bis(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCC(C)CN(CC(C)C)CC(O)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-8(2)5-15(6-9(3)4)7-10(16)11(12,13)14/h8-10,16H,5-7H2,1-4H3
InChIKeyOESRSHPVBVFEPC-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.52
Rot. Bonds6

About 3-[bis(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol

3-[bis(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63900403) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID63900403
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name3-[bis(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCC(C)CN(CC(C)C)CC(O)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-8(2)5-15(6-9(3)4)7-10(16)11(12,13)14/h8-10,16H,5-7H2,1-4H3
InChIKeyOESRSHPVBVFEPC-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[bis(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol (CID 63900403) is 3-[bis(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol is CC(C)CN(CC(C)C)CC(O)C(F)(F)F.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is OESRSHPVBVFEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-8(2)5-15(6-9(3)4)7-10(16)11(12,13)14/h8-10,16H,5-7H2,1-4H3.
What are the key properties of 3-[bis(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[bis(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 241.30 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63900403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).