3-(3-ethylpentan-2-ylamino)-1,1,1-trifluoropropan-2-ol

C10H20F3NO — CID 63900250

IUPAC3-(3-ethylpentan-2-ylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCC(CC)C(C)NCC(O)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-8(5-2)7(3)14-6-9(15)10(11,12)13/h7-9,14-15H,4-6H2,1-3H3
InChIKeyHSXGXUXJBNCJSY-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.32
Rot. Bonds6

About 3-(3-ethylpentan-2-ylamino)-1,1,1-trifluoropropan-2-ol

3-(3-ethylpentan-2-ylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 63900250) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-(3-ethylpentan-2-ylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(3-ethylpentan-2-ylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID63900250
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name3-(3-ethylpentan-2-ylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCC(CC)C(C)NCC(O)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-8(5-2)7(3)14-6-9(15)10(11,12)13/h7-9,14-15H,4-6H2,1-3H3
InChIKeyHSXGXUXJBNCJSY-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpentan-2-ylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(3-ethylpentan-2-ylamino)-1,1,1-trifluoropropan-2-ol (CID 63900250) is 3-(3-ethylpentan-2-ylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(3-ethylpentan-2-ylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(3-ethylpentan-2-ylamino)-1,1,1-trifluoropropan-2-ol is CCC(CC)C(C)NCC(O)C(F)(F)F.
What is the InChIKey of 3-(3-ethylpentan-2-ylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is HSXGXUXJBNCJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-4-8(5-2)7(3)14-6-9(15)10(11,12)13/h7-9,14-15H,4-6H2,1-3H3.
What are the key properties of 3-(3-ethylpentan-2-ylamino)-1,1,1-trifluoropropan-2-ol?
3-(3-ethylpentan-2-ylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 227.27 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpentan-2-ylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63900250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).