1-[(2,2,3,3-tetrafluoropropylamino)methyl]cycloheptan-1-ol

C11H19F4NO — CID 106291599

IUPAC1-[(2,2,3,3-tetrafluoropropylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNCC(F)(F)C(F)F)CCCCCC1
InChIInChI=1S/C11H19F4NO/c12-9(13)11(14,15)8-16-7-10(17)5-3-1-2-4-6-10/h9,16-17H,1-8H2
InChIKeyRNBUQOMZQDYZQB-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.56
Rot. Bonds5

About 1-[(2,2,3,3-tetrafluoropropylamino)methyl]cycloheptan-1-ol

1-[(2,2,3,3-tetrafluoropropylamino)methyl]cycloheptan-1-ol (PubChem CID 106291599) has the molecular formula C11H19F4NO and a molecular weight of 257.27 g/mol. Its IUPAC name is 1-[(2,2,3,3-tetrafluoropropylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(2,2,3,3-tetrafluoropropylamino)methyl]cycloheptan-1-ol
PubChem CID106291599
Molecular FormulaC11H19F4NO
Molecular Weight257.27 g/mol
Exact Mass257.14
IUPAC Name1-[(2,2,3,3-tetrafluoropropylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNCC(F)(F)C(F)F)CCCCCC1
InChIInChI=1S/C11H19F4NO/c12-9(13)11(14,15)8-16-7-10(17)5-3-1-2-4-6-10/h9,16-17H,1-8H2
InChIKeyRNBUQOMZQDYZQB-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2,3,3-tetrafluoropropylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(2,2,3,3-tetrafluoropropylamino)methyl]cycloheptan-1-ol (CID 106291599) is 1-[(2,2,3,3-tetrafluoropropylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(2,2,3,3-tetrafluoropropylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(2,2,3,3-tetrafluoropropylamino)methyl]cycloheptan-1-ol is OC1(CNCC(F)(F)C(F)F)CCCCCC1.
What is the InChIKey of 1-[(2,2,3,3-tetrafluoropropylamino)methyl]cycloheptan-1-ol?
The InChIKey is RNBUQOMZQDYZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4NO/c12-9(13)11(14,15)8-16-7-10(17)5-3-1-2-4-6-10/h9,16-17H,1-8H2.
What are the key properties of 1-[(2,2,3,3-tetrafluoropropylamino)methyl]cycloheptan-1-ol?
1-[(2,2,3,3-tetrafluoropropylamino)methyl]cycloheptan-1-ol has a molecular weight of 257.27 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2,3,3-tetrafluoropropylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 106291599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).