3-[2-(cyclohexen-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol

C11H18F3NO — CID 63899845

IUPAC3-[2-(cyclohexen-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCCC1=CCCCC1)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c12-11(13,14)10(16)8-15-7-6-9-4-2-1-3-5-9/h4,10,15-16H,1-3,5-8H2
InChIKeyFDIQEKKACZBZNF-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.39
Rot. Bonds5

About 3-[2-(cyclohexen-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol

3-[2-(cyclohexen-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63899845) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID63899845
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name3-[2-(cyclohexen-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCCC1=CCCCC1)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c12-11(13,14)10(16)8-15-7-6-9-4-2-1-3-5-9/h4,10,15-16H,1-3,5-8H2
InChIKeyFDIQEKKACZBZNF-UHFFFAOYSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol (CID 63899845) is 3-[2-(cyclohexen-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol is OC(CNCCC1=CCCCC1)C(F)(F)F.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is FDIQEKKACZBZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)10(16)8-15-7-6-9-4-2-1-3-5-9/h4,10,15-16H,1-3,5-8H2.
What are the key properties of 3-[2-(cyclohexen-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
3-[2-(cyclohexen-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 237.26 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63899845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).