3-[butan-2-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol

C8H16F3NO — CID 63902045

IUPAC3-[butan-2-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCC(C)N(C)CC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-4-6(2)12(3)5-7(13)8(9,10)11/h6-7,13H,4-5H2,1-3H3
InChIKeyLQDXJJQTLGSUNK-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.64
Rot. Bonds4

About 3-[butan-2-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol

3-[butan-2-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63902045) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-[butan-2-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[butan-2-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID63902045
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name3-[butan-2-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCC(C)N(C)CC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-4-6(2)12(3)5-7(13)8(9,10)11/h6-7,13H,4-5H2,1-3H3
InChIKeyLQDXJJQTLGSUNK-UHFFFAOYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[butan-2-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol (CID 63902045) is 3-[butan-2-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[butan-2-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[butan-2-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol is CCC(C)N(C)CC(O)C(F)(F)F.
What is the InChIKey of 3-[butan-2-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is LQDXJJQTLGSUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-4-6(2)12(3)5-7(13)8(9,10)11/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 3-[butan-2-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[butan-2-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 199.22 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63902045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).