4-[(4,4,4-trifluorobutylamino)methyl]cyclohexan-1-ol

C11H20F3NO — CID 106133219

IUPAC4-[(4,4,4-trifluorobutylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCCCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)6-1-7-15-8-9-2-4-10(16)5-3-9/h9-10,15-16H,1-8H2
InChIKeyFGSMXRCUNUCMOF-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds5

About 4-[(4,4,4-trifluorobutylamino)methyl]cyclohexan-1-ol

4-[(4,4,4-trifluorobutylamino)methyl]cyclohexan-1-ol (PubChem CID 106133219) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-[(4,4,4-trifluorobutylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4,4,4-trifluorobutylamino)methyl]cyclohexan-1-ol
PubChem CID106133219
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4-[(4,4,4-trifluorobutylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCCCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)6-1-7-15-8-9-2-4-10(16)5-3-9/h9-10,15-16H,1-8H2
InChIKeyFGSMXRCUNUCMOF-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.47
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-[(4,4,4-trifluorobutylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(4,4,4-trifluorobutylamino)methyl]cyclohexan-1-ol (CID 106133219) is 4-[(4,4,4-trifluorobutylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4,4,4-trifluorobutylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(4,4,4-trifluorobutylamino)methyl]cyclohexan-1-ol is OC1CCC(CNCCCC(F)(F)F)CC1.
What is the InChIKey of 4-[(4,4,4-trifluorobutylamino)methyl]cyclohexan-1-ol?
The InChIKey is FGSMXRCUNUCMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c12-11(13,14)6-1-7-15-8-9-2-4-10(16)5-3-9/h9-10,15-16H,1-8H2.
What are the key properties of 4-[(4,4,4-trifluorobutylamino)methyl]cyclohexan-1-ol?
4-[(4,4,4-trifluorobutylamino)methyl]cyclohexan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4,4-trifluorobutylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106133219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).