2,2-dimethyl-3-(5,5,5-trifluoropentylamino)propan-1-ol

C10H20F3NO — CID 115516907

IUPAC2,2-dimethyl-3-(5,5,5-trifluoropentylamino)propan-1-ol
SMILESCC(C)(CO)CNCCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-9(2,8-15)7-14-6-4-3-5-10(11,12)13/h14-15H,3-8H2,1-2H3
InChIKeyYOWUJKDLHKCDCY-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.33
Rot. Bonds7

About 2,2-dimethyl-3-(5,5,5-trifluoropentylamino)propan-1-ol

2,2-dimethyl-3-(5,5,5-trifluoropentylamino)propan-1-ol (PubChem CID 115516907) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-(5,5,5-trifluoropentylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(5,5,5-trifluoropentylamino)propan-1-ol
PubChem CID115516907
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name2,2-dimethyl-3-(5,5,5-trifluoropentylamino)propan-1-ol
SMILESCC(C)(CO)CNCCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-9(2,8-15)7-14-6-4-3-5-10(11,12)13/h14-15H,3-8H2,1-2H3
InChIKeyYOWUJKDLHKCDCY-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(5,5,5-trifluoropentylamino)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(5,5,5-trifluoropentylamino)propan-1-ol (CID 115516907) is 2,2-dimethyl-3-(5,5,5-trifluoropentylamino)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(5,5,5-trifluoropentylamino)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(5,5,5-trifluoropentylamino)propan-1-ol is CC(C)(CO)CNCCCCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-3-(5,5,5-trifluoropentylamino)propan-1-ol?
The InChIKey is YOWUJKDLHKCDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-9(2,8-15)7-14-6-4-3-5-10(11,12)13/h14-15H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(5,5,5-trifluoropentylamino)propan-1-ol?
2,2-dimethyl-3-(5,5,5-trifluoropentylamino)propan-1-ol has a molecular weight of 227.27 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(5,5,5-trifluoropentylamino)propan-1-ol is sourced from PubChem (CID 115516907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).