1-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol

C7H11F6NO — CID 150677014

IUPAC1-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol
SMILESNC(O)CC(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C7H11F6NO/c8-6(9,10)2-4(1-5(14)15)3-7(11,12)13/h4-5,15H,1-3,14H2
InChIKeyJHCDEGUWMMJHCA-UHFFFAOYSA-N
MW239.16 g/mol
LogP2.17
Rot. Bonds4

About 1-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol

1-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol (PubChem CID 150677014) has the molecular formula C7H11F6NO and a molecular weight of 239.16 g/mol. Its IUPAC name is 1-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol.

Molecular Properties

Compound Name1-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol
PubChem CID150677014
Molecular FormulaC7H11F6NO
Molecular Weight239.16 g/mol
Exact Mass239.07
IUPAC Name1-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol
SMILESNC(O)CC(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C7H11F6NO/c8-6(9,10)2-4(1-5(14)15)3-7(11,12)13/h4-5,15H,1-3,14H2
InChIKeyJHCDEGUWMMJHCA-UHFFFAOYSA-N
XLogP2.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol
CID 86594496
4-(Aminomethyl)-5,5,5-trifluoropentan-1-ol
CID 88924319
2-Amino-6,6,6-trifluoro-4-(trifluoromethyl)hexan-1-ol
CID 90251319
1-Amino-5,5,5-trifluoropentan-1-ol;hydrochloride
CID 122604013
1-Amino-2-(trifluoromethyl)butan-1-ol
CID 162593874
1-Amino-3-methylpentan-1-ol
CID 278453
5-Amino-3-trifluoromethyl-pentan-1-ol
CID 102537616
1-Amino-5,5,5-trifluoropentan-1-ol
CID 122604014
(3S)-5-amino-3-(trifluoromethyl)pentan-1-ol
CID 124490710
(3R)-5-amino-3-(trifluoromethyl)pentan-1-ol
CID 124490711
2-(Aminomethyl)-3,3,4,4,4-pentafluorobutan-1-ol
CID 165633607
2-(Aminomethyl)-3,4,4,4-tetrafluorobutan-1-ol
CID 165678878

Frequently Asked Questions

What is the IUPAC name of 1-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol?
The IUPAC name of 1-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol (CID 150677014) is 1-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol.
What is the SMILES notation for 1-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol?
The canonical SMILES for 1-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol is NC(O)CC(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 1-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol?
The InChIKey is JHCDEGUWMMJHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6NO/c8-6(9,10)2-4(1-5(14)15)3-7(11,12)13/h4-5,15H,1-3,14H2.
What are the key properties of 1-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol?
1-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol has a molecular weight of 239.16 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol is sourced from PubChem (CID 150677014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).