4-(ethylamino)butan-1-ol;1,1,1-trifluoroethane

C8H18F3NO — CID 143016474

IUPAC4-(ethylamino)butan-1-ol;1,1,1-trifluoroethane
SMILESCC(F)(F)F.CCNCCCCO
InChIInChI=1S/C6H15NO.C2H3F3/c1-2-7-5-3-4-6-8;1-2(3,4)5/h7-8H,2-6H2,1H3;1H3
InChIKeyXXRNHYJTICETLN-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.94
Rot. Bonds5

About 4-(ethylamino)butan-1-ol;1,1,1-trifluoroethane

4-(ethylamino)butan-1-ol;1,1,1-trifluoroethane (PubChem CID 143016474) has the molecular formula C8H18F3NO and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-(ethylamino)butan-1-ol;1,1,1-trifluoroethane.

Molecular Properties

Compound Name4-(ethylamino)butan-1-ol;1,1,1-trifluoroethane
PubChem CID143016474
Molecular FormulaC8H18F3NO
Molecular Weight201.23 g/mol
Exact Mass201.13
IUPAC Name4-(ethylamino)butan-1-ol;1,1,1-trifluoroethane
SMILESCC(F)(F)F.CCNCCCCO
InChIInChI=1S/C6H15NO.C2H3F3/c1-2-7-5-3-4-6-8;1-2(3,4)5/h7-8H,2-6H2,1H3;1H3
InChIKeyXXRNHYJTICETLN-UHFFFAOYSA-N
XLogP1.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Butanol, 4-(butylamino)-
CID 20669
4-Ethylamino-1-butanol
CID 546882
4-(4-Hydroxybutylamino)butan-1-ol
CID 157518
4-(3,3,3-Trifluoropropylamino)butan-1-ol
CID 63226132
3-(Butylamino)-2,2-difluoropropan-1-ol
CID 106173032
4-(3-Fluoropropylamino)butan-1-ol
CID 106841602
3-(2,2-Difluoropropylamino)propan-1-ol
CID 131078573
2,2-Difluoro-4-(methylamino)butan-1-ol
CID 134297411
3,3-Difluoro-4-(methylamino)butan-1-ol
CID 134297415
4-(Diethylamino)-3,4,4-trifluorobutan-1-ol
CID 141498604
Ethane;methane;pyrrolidin-3-ylmethanol;1,1,1-trifluoroethane
CID 143016284
(2S)-5-(ethylamino)-1,1-difluoropentan-2-ol
CID 143016302

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)butan-1-ol;1,1,1-trifluoroethane?
The IUPAC name of 4-(ethylamino)butan-1-ol;1,1,1-trifluoroethane (CID 143016474) is 4-(ethylamino)butan-1-ol;1,1,1-trifluoroethane.
What is the SMILES notation for 4-(ethylamino)butan-1-ol;1,1,1-trifluoroethane?
The canonical SMILES for 4-(ethylamino)butan-1-ol;1,1,1-trifluoroethane is CC(F)(F)F.CCNCCCCO.
What is the InChIKey of 4-(ethylamino)butan-1-ol;1,1,1-trifluoroethane?
The InChIKey is XXRNHYJTICETLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.C2H3F3/c1-2-7-5-3-4-6-8;1-2(3,4)5/h7-8H,2-6H2,1H3;1H3.
What are the key properties of 4-(ethylamino)butan-1-ol;1,1,1-trifluoroethane?
4-(ethylamino)butan-1-ol;1,1,1-trifluoroethane has a molecular weight of 201.23 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)butan-1-ol;1,1,1-trifluoroethane is sourced from PubChem (CID 143016474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).