3-(2,3-dimethylbutylamino)-1,1,1-trifluoropropan-2-ol

C9H18F3NO — CID 64570936

IUPAC3-(2,3-dimethylbutylamino)-1,1,1-trifluoropropan-2-ol
SMILESCC(C)C(C)CNCC(O)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-6(2)7(3)4-13-5-8(14)9(10,11)12/h6-8,13-14H,4-5H2,1-3H3
InChIKeyBRICEQTVORHZEO-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.79
Rot. Bonds5

About 3-(2,3-dimethylbutylamino)-1,1,1-trifluoropropan-2-ol

3-(2,3-dimethylbutylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 64570936) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(2,3-dimethylbutylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(2,3-dimethylbutylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID64570936
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name3-(2,3-dimethylbutylamino)-1,1,1-trifluoropropan-2-ol
SMILESCC(C)C(C)CNCC(O)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-6(2)7(3)4-13-5-8(14)9(10,11)12/h6-8,13-14H,4-5H2,1-3H3
InChIKeyBRICEQTVORHZEO-UHFFFAOYSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbutylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(2,3-dimethylbutylamino)-1,1,1-trifluoropropan-2-ol (CID 64570936) is 3-(2,3-dimethylbutylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(2,3-dimethylbutylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(2,3-dimethylbutylamino)-1,1,1-trifluoropropan-2-ol is CC(C)C(C)CNCC(O)C(F)(F)F.
What is the InChIKey of 3-(2,3-dimethylbutylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is BRICEQTVORHZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-6(2)7(3)4-13-5-8(14)9(10,11)12/h6-8,13-14H,4-5H2,1-3H3.
What are the key properties of 3-(2,3-dimethylbutylamino)-1,1,1-trifluoropropan-2-ol?
3-(2,3-dimethylbutylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 213.24 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbutylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 64570936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).