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

C10H18F3NO — CID 63227075

IUPAC1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCCC(F)(F)F)CCCCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)6-7-14-8-9(15)4-2-1-3-5-9/h14-15H,1-8H2
InChIKeyWXUFAUIAUFPLTP-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.22
Rot. Bonds4

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

1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol (PubChem CID 63227075) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
PubChem CID63227075
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCCC(F)(F)F)CCCCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)6-7-14-8-9(15)4-2-1-3-5-9/h14-15H,1-8H2
InChIKeyWXUFAUIAUFPLTP-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.22
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]cyclohexan-1-ol?
The IUPAC name of 1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol (CID 63227075) is 1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol is OC1(CNCCC(F)(F)F)CCCCC1.
What is the InChIKey of 1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol?
The InChIKey is WXUFAUIAUFPLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)6-7-14-8-9(15)4-2-1-3-5-9/h14-15H,1-8H2.
What are the key properties of 1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol?
1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 2.22, 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]cyclohexan-1-ol is sourced from PubChem (CID 63227075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).