4-(diethylamino)-3,4,4-trifluorobutan-1-ol

C8H16F3NO — CID 141498604

IUPAC4-(diethylamino)-3,4,4-trifluorobutan-1-ol
SMILESCCN(CC)C(F)(F)C(F)CCO
InChIInChI=1S/C8H16F3NO/c1-3-12(4-2)8(10,11)7(9)5-6-13/h7,13H,3-6H2,1-2H3
InChIKeyFUPYSMYDBXJAFW-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.64
Rot. Bonds6

About 4-(diethylamino)-3,4,4-trifluorobutan-1-ol

4-(diethylamino)-3,4,4-trifluorobutan-1-ol (PubChem CID 141498604) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 4-(diethylamino)-3,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name4-(diethylamino)-3,4,4-trifluorobutan-1-ol
PubChem CID141498604
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name4-(diethylamino)-3,4,4-trifluorobutan-1-ol
SMILESCCN(CC)C(F)(F)C(F)CCO
InChIInChI=1S/C8H16F3NO/c1-3-12(4-2)8(10,11)7(9)5-6-13/h7,13H,3-6H2,1-2H3
InChIKeyFUPYSMYDBXJAFW-UHFFFAOYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-3,4,4-trifluorobutan-1-ol?
The IUPAC name of 4-(diethylamino)-3,4,4-trifluorobutan-1-ol (CID 141498604) is 4-(diethylamino)-3,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 4-(diethylamino)-3,4,4-trifluorobutan-1-ol?
The canonical SMILES for 4-(diethylamino)-3,4,4-trifluorobutan-1-ol is CCN(CC)C(F)(F)C(F)CCO.
What is the InChIKey of 4-(diethylamino)-3,4,4-trifluorobutan-1-ol?
The InChIKey is FUPYSMYDBXJAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-3-12(4-2)8(10,11)7(9)5-6-13/h7,13H,3-6H2,1-2H3.
What are the key properties of 4-(diethylamino)-3,4,4-trifluorobutan-1-ol?
4-(diethylamino)-3,4,4-trifluorobutan-1-ol has a molecular weight of 199.22 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-3,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 141498604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).