1,1,1-trifluoro-3-(5-methylhexan-2-ylamino)propan-2-ol

C10H20F3NO — CID 63926285

IUPAC1,1,1-trifluoro-3-(5-methylhexan-2-ylamino)propan-2-ol
SMILESCC(C)CCC(C)NCC(O)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-7(2)4-5-8(3)14-6-9(15)10(11,12)13/h7-9,14-15H,4-6H2,1-3H3
InChIKeyJLVBLUDKQLCJEJ-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.32
Rot. Bonds6

About 1,1,1-trifluoro-3-(5-methylhexan-2-ylamino)propan-2-ol

1,1,1-trifluoro-3-(5-methylhexan-2-ylamino)propan-2-ol (PubChem CID 63926285) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(5-methylhexan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(5-methylhexan-2-ylamino)propan-2-ol
PubChem CID63926285
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name1,1,1-trifluoro-3-(5-methylhexan-2-ylamino)propan-2-ol
SMILESCC(C)CCC(C)NCC(O)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-7(2)4-5-8(3)14-6-9(15)10(11,12)13/h7-9,14-15H,4-6H2,1-3H3
InChIKeyJLVBLUDKQLCJEJ-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 1,1,1-trifluoro-3-(5-methylhexan-2-ylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(5-methylhexan-2-ylamino)propan-2-ol (CID 63926285) is 1,1,1-trifluoro-3-(5-methylhexan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(5-methylhexan-2-ylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(5-methylhexan-2-ylamino)propan-2-ol is CC(C)CCC(C)NCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(5-methylhexan-2-ylamino)propan-2-ol?
The InChIKey is JLVBLUDKQLCJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-7(2)4-5-8(3)14-6-9(15)10(11,12)13/h7-9,14-15H,4-6H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-3-(5-methylhexan-2-ylamino)propan-2-ol?
1,1,1-trifluoro-3-(5-methylhexan-2-ylamino)propan-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 1,1,1-trifluoro-3-(5-methylhexan-2-ylamino)propan-2-ol is sourced from PubChem (CID 63926285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).