1-amino-5,5,5-trifluoropentan-1-ol

C5H10F3NO — CID 122604014

IUPAC1-amino-5,5,5-trifluoropentan-1-ol
SMILESNC(O)CCCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c6-5(7,8)3-1-2-4(9)10/h4,10H,1-3,9H2
InChIKeyNLSMAVQQTASLAB-UHFFFAOYSA-N
MW157.13 g/mol
LogP1.00
Rot. Bonds3

About 1-amino-5,5,5-trifluoropentan-1-ol

1-amino-5,5,5-trifluoropentan-1-ol (PubChem CID 122604014) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 1-amino-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name1-amino-5,5,5-trifluoropentan-1-ol
PubChem CID122604014
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name1-amino-5,5,5-trifluoropentan-1-ol
SMILESNC(O)CCCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c6-5(7,8)3-1-2-4(9)10/h4,10H,1-3,9H2
InChIKeyNLSMAVQQTASLAB-UHFFFAOYSA-N
XLogP1.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 51.00
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-5,5,5-trifluoropentan-1-ol?
The IUPAC name of 1-amino-5,5,5-trifluoropentan-1-ol (CID 122604014) is 1-amino-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 1-amino-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 1-amino-5,5,5-trifluoropentan-1-ol is NC(O)CCCC(F)(F)F.
What is the InChIKey of 1-amino-5,5,5-trifluoropentan-1-ol?
The InChIKey is NLSMAVQQTASLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c6-5(7,8)3-1-2-4(9)10/h4,10H,1-3,9H2.
What are the key properties of 1-amino-5,5,5-trifluoropentan-1-ol?
1-amino-5,5,5-trifluoropentan-1-ol has a molecular weight of 157.13 g/mol, XLogP of 1.00, 3 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-trifluoropentan-1-ol is sourced from PubChem (CID 122604014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).