5,5,5-trifluoro-2-methyl-1-(propylamino)pentan-2-ol

C9H18F3NO — CID 66037473

IUPAC5,5,5-trifluoro-2-methyl-1-(propylamino)pentan-2-ol
SMILESCCCNCC(C)(O)CCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-6-13-7-8(2,14)4-5-9(10,11)12/h13-14H,3-7H2,1-2H3
InChIKeyKATHAVYYFGOTED-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.08
Rot. Bonds6

About 5,5,5-trifluoro-2-methyl-1-(propylamino)pentan-2-ol

5,5,5-trifluoro-2-methyl-1-(propylamino)pentan-2-ol (PubChem CID 66037473) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 5,5,5-trifluoro-2-methyl-1-(propylamino)pentan-2-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-2-methyl-1-(propylamino)pentan-2-ol
PubChem CID66037473
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name5,5,5-trifluoro-2-methyl-1-(propylamino)pentan-2-ol
SMILESCCCNCC(C)(O)CCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-6-13-7-8(2,14)4-5-9(10,11)12/h13-14H,3-7H2,1-2H3
InChIKeyKATHAVYYFGOTED-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

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 5,5,5-trifluoro-2-methyl-1-(propylamino)pentan-2-ol?
The IUPAC name of 5,5,5-trifluoro-2-methyl-1-(propylamino)pentan-2-ol (CID 66037473) is 5,5,5-trifluoro-2-methyl-1-(propylamino)pentan-2-ol.
What is the SMILES notation for 5,5,5-trifluoro-2-methyl-1-(propylamino)pentan-2-ol?
The canonical SMILES for 5,5,5-trifluoro-2-methyl-1-(propylamino)pentan-2-ol is CCCNCC(C)(O)CCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-2-methyl-1-(propylamino)pentan-2-ol?
The InChIKey is KATHAVYYFGOTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-3-6-13-7-8(2,14)4-5-9(10,11)12/h13-14H,3-7H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-2-methyl-1-(propylamino)pentan-2-ol?
5,5,5-trifluoro-2-methyl-1-(propylamino)pentan-2-ol has a molecular weight of 213.24 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-2-methyl-1-(propylamino)pentan-2-ol is sourced from PubChem (CID 66037473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).