5-[bis(trifluoromethyl)amino]pentan-1-ol

C7H11F6NO — CID 58019321

IUPAC5-[bis(trifluoromethyl)amino]pentan-1-ol
SMILESOCCCCCN(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6NO/c8-6(9,10)14(7(11,12)13)4-2-1-3-5-15/h15H,1-5H2
InChIKeyBEQBAMVQTAZNMO-UHFFFAOYSA-N
MW239.16 g/mol
LogP2.49
Rot. Bonds5

About 5-[bis(trifluoromethyl)amino]pentan-1-ol

5-[bis(trifluoromethyl)amino]pentan-1-ol (PubChem CID 58019321) has the molecular formula C7H11F6NO and a molecular weight of 239.16 g/mol. Its IUPAC name is 5-[bis(trifluoromethyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[bis(trifluoromethyl)amino]pentan-1-ol
PubChem CID58019321
Molecular FormulaC7H11F6NO
Molecular Weight239.16 g/mol
Exact Mass239.07
IUPAC Name5-[bis(trifluoromethyl)amino]pentan-1-ol
SMILESOCCCCCN(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6NO/c8-6(9,10)14(7(11,12)13)4-2-1-3-5-15/h15H,1-5H2
InChIKeyBEQBAMVQTAZNMO-UHFFFAOYSA-N
XLogP2.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-bromo-N,N-bis(trifluoromethyl)nonan-1-amine
CID 87637276
13-[bis(trifluoromethyl)amino]tridecanoic acid
CID 87512295
7-[bis(trifluoromethyl)amino]heptane-1-sulfonic acid
CID 102025506
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
tricosane-1,23-diol
CID 25144332
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 62228231

Frequently Asked Questions

What is the IUPAC name of 5-[bis(trifluoromethyl)amino]pentan-1-ol?
The IUPAC name of 5-[bis(trifluoromethyl)amino]pentan-1-ol (CID 58019321) is 5-[bis(trifluoromethyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[bis(trifluoromethyl)amino]pentan-1-ol?
The canonical SMILES for 5-[bis(trifluoromethyl)amino]pentan-1-ol is OCCCCCN(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-[bis(trifluoromethyl)amino]pentan-1-ol?
The InChIKey is BEQBAMVQTAZNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6NO/c8-6(9,10)14(7(11,12)13)4-2-1-3-5-15/h15H,1-5H2.
What are the key properties of 5-[bis(trifluoromethyl)amino]pentan-1-ol?
5-[bis(trifluoromethyl)amino]pentan-1-ol has a molecular weight of 239.16 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(trifluoromethyl)amino]pentan-1-ol is sourced from PubChem (CID 58019321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).