4-ethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol

C12H22F3NO — CID 65118159

IUPAC4-ethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNCCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-2-10-3-5-11(17,6-4-10)9-16-8-7-12(13,14)15/h10,16-17H,2-9H2,1H3
InChIKeyLRZBWGYSNJNALH-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.86
Rot. Bonds5

About 4-ethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol

4-ethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol (PubChem CID 65118159) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-ethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
PubChem CID65118159
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name4-ethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNCCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-2-10-3-5-11(17,6-4-10)9-16-8-7-12(13,14)15/h10,16-17H,2-9H2,1H3
InChIKeyLRZBWGYSNJNALH-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.86
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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol (CID 65118159) is 4-ethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol is CCC1CCC(O)(CNCCC(F)(F)F)CC1.
What is the InChIKey of 4-ethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol?
The InChIKey is LRZBWGYSNJNALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-10-3-5-11(17,6-4-10)9-16-8-7-12(13,14)15/h10,16-17H,2-9H2,1H3.
What are the key properties of 4-ethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol?
4-ethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65118159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).