3-(3,3,3-trifluoropropoxy)propan-1-ol

C6H11F3O2 — CID 54394175

IUPAC3-(3,3,3-trifluoropropoxy)propan-1-ol
SMILESOCCCOCCC(F)(F)F
InChIInChI=1S/C6H11F3O2/c7-6(8,9)2-5-11-4-1-3-10/h10H,1-5H2
InChIKeyKXQIZNOMUAEGTM-UHFFFAOYSA-N
MW172.15 g/mol
LogP1.34
Rot. Bonds5

About 3-(3,3,3-trifluoropropoxy)propan-1-ol

3-(3,3,3-trifluoropropoxy)propan-1-ol (PubChem CID 54394175) has the molecular formula C6H11F3O2 and a molecular weight of 172.15 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropoxy)propan-1-ol.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropoxy)propan-1-ol
PubChem CID54394175
Molecular FormulaC6H11F3O2
Molecular Weight172.15 g/mol
Exact Mass172.07
IUPAC Name3-(3,3,3-trifluoropropoxy)propan-1-ol
SMILESOCCCOCCC(F)(F)F
InChIInChI=1S/C6H11F3O2/c7-6(8,9)2-5-11-4-1-3-10/h10H,1-5H2
InChIKeyKXQIZNOMUAEGTM-UHFFFAOYSA-N
XLogP1.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 51.34
H-Bond Donors ≤ 51
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 3-(3,3,3-trifluoropropoxy)propan-1-ol?
The IUPAC name of 3-(3,3,3-trifluoropropoxy)propan-1-ol (CID 54394175) is 3-(3,3,3-trifluoropropoxy)propan-1-ol.
What is the SMILES notation for 3-(3,3,3-trifluoropropoxy)propan-1-ol?
The canonical SMILES for 3-(3,3,3-trifluoropropoxy)propan-1-ol is OCCCOCCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropoxy)propan-1-ol?
The InChIKey is KXQIZNOMUAEGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O2/c7-6(8,9)2-5-11-4-1-3-10/h10H,1-5H2.
What are the key properties of 3-(3,3,3-trifluoropropoxy)propan-1-ol?
3-(3,3,3-trifluoropropoxy)propan-1-ol has a molecular weight of 172.15 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropoxy)propan-1-ol is sourced from PubChem (CID 54394175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).