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

C10H17F4NO — CID 106291356

IUPAC1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCC(F)(F)C(F)F)CCCCC1
InChIInChI=1S/C10H17F4NO/c11-8(12)10(13,14)7-15-6-9(16)4-2-1-3-5-9/h8,15-16H,1-7H2
InChIKeyBUGLMGQIFQMHHC-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.17
Rot. Bonds5

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

1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclohexan-1-ol (PubChem CID 106291356) has the molecular formula C10H17F4NO and a molecular weight of 243.24 g/mol. Its IUPAC name is 1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclohexan-1-ol
PubChem CID106291356
Molecular FormulaC10H17F4NO
Molecular Weight243.24 g/mol
Exact Mass243.12
IUPAC Name1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCC(F)(F)C(F)F)CCCCC1
InChIInChI=1S/C10H17F4NO/c11-8(12)10(13,14)7-15-6-9(16)4-2-1-3-5-9/h8,15-16H,1-7H2
InChIKeyBUGLMGQIFQMHHC-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclohexan-1-ol (CID 106291356) is 1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclohexan-1-ol is OC1(CNCC(F)(F)C(F)F)CCCCC1.
What is the InChIKey of 1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclohexan-1-ol?
The InChIKey is BUGLMGQIFQMHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NO/c11-8(12)10(13,14)7-15-6-9(16)4-2-1-3-5-9/h8,15-16H,1-7H2.
What are the key properties of 1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclohexan-1-ol?
1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclohexan-1-ol has a molecular weight of 243.24 g/mol, XLogP of 2.17, 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]cyclohexan-1-ol is sourced from PubChem (CID 106291356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).