1-[(3,3,3-trifluoropropylamino)methyl]cycloheptan-1-ol

C11H20F3NO — CID 63227022

IUPAC1-[(3,3,3-trifluoropropylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNCCC(F)(F)F)CCCCCC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)7-8-15-9-10(16)5-3-1-2-4-6-10/h15-16H,1-9H2
InChIKeyQHIWYYAXANQXFM-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.61
Rot. Bonds4

About 1-[(3,3,3-trifluoropropylamino)methyl]cycloheptan-1-ol

1-[(3,3,3-trifluoropropylamino)methyl]cycloheptan-1-ol (PubChem CID 63227022) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-[(3,3,3-trifluoropropylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(3,3,3-trifluoropropylamino)methyl]cycloheptan-1-ol
PubChem CID63227022
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-[(3,3,3-trifluoropropylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNCCC(F)(F)F)CCCCCC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)7-8-15-9-10(16)5-3-1-2-4-6-10/h15-16H,1-9H2
InChIKeyQHIWYYAXANQXFM-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.61
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 1-[(3,3,3-trifluoropropylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(3,3,3-trifluoropropylamino)methyl]cycloheptan-1-ol (CID 63227022) is 1-[(3,3,3-trifluoropropylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(3,3,3-trifluoropropylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(3,3,3-trifluoropropylamino)methyl]cycloheptan-1-ol is OC1(CNCCC(F)(F)F)CCCCCC1.
What is the InChIKey of 1-[(3,3,3-trifluoropropylamino)methyl]cycloheptan-1-ol?
The InChIKey is QHIWYYAXANQXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c12-11(13,14)7-8-15-9-10(16)5-3-1-2-4-6-10/h15-16H,1-9H2.
What are the key properties of 1-[(3,3,3-trifluoropropylamino)methyl]cycloheptan-1-ol?
1-[(3,3,3-trifluoropropylamino)methyl]cycloheptan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3,3-trifluoropropylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 63227022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).