2-methyl-3-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol

C9H18F3NO — CID 103931449

IUPAC2-methyl-3-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol
SMILESCC(CC(F)(F)F)NC(C)C(C)(C)O
InChIInChI=1S/C9H18F3NO/c1-6(5-9(10,11)12)13-7(2)8(3,4)14/h6-7,13-14H,5H2,1-4H3
InChIKeyFYIQEXJMAROERY-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.08
Rot. Bonds4

About 2-methyl-3-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol

2-methyl-3-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol (PubChem CID 103931449) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-methyl-3-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol
PubChem CID103931449
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name2-methyl-3-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol
SMILESCC(CC(F)(F)F)NC(C)C(C)(C)O
InChIInChI=1S/C9H18F3NO/c1-6(5-9(10,11)12)13-7(2)8(3,4)14/h6-7,13-14H,5H2,1-4H3
InChIKeyFYIQEXJMAROERY-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
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-3-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol?
The IUPAC name of 2-methyl-3-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol (CID 103931449) is 2-methyl-3-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-3-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol?
The canonical SMILES for 2-methyl-3-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol is CC(CC(F)(F)F)NC(C)C(C)(C)O.
What is the InChIKey of 2-methyl-3-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol?
The InChIKey is FYIQEXJMAROERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-6(5-9(10,11)12)13-7(2)8(3,4)14/h6-7,13-14H,5H2,1-4H3.
What are the key properties of 2-methyl-3-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol?
2-methyl-3-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol has a molecular weight of 213.24 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol is sourced from PubChem (CID 103931449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).