2-[(3-fluoropropylamino)methyl]cyclohexan-1-ol

C10H20FNO — CID 81106704

IUPAC2-[(3-fluoropropylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCCCF
InChIInChI=1S/C10H20FNO/c11-6-3-7-12-8-9-4-1-2-5-10(9)13/h9-10,12-13H,1-8H2
InChIKeyWWICSSFOUOJTIZ-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.49
Rot. Bonds5

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

2-[(3-fluoropropylamino)methyl]cyclohexan-1-ol (PubChem CID 81106704) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 2-[(3-fluoropropylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3-fluoropropylamino)methyl]cyclohexan-1-ol
PubChem CID81106704
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name2-[(3-fluoropropylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCCCF
InChIInChI=1S/C10H20FNO/c11-6-3-7-12-8-9-4-1-2-5-10(9)13/h9-10,12-13H,1-8H2
InChIKeyWWICSSFOUOJTIZ-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.49
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 2-[(3-fluoropropylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(3-fluoropropylamino)methyl]cyclohexan-1-ol (CID 81106704) is 2-[(3-fluoropropylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3-fluoropropylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(3-fluoropropylamino)methyl]cyclohexan-1-ol is OC1CCCCC1CNCCCF.
What is the InChIKey of 2-[(3-fluoropropylamino)methyl]cyclohexan-1-ol?
The InChIKey is WWICSSFOUOJTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c11-6-3-7-12-8-9-4-1-2-5-10(9)13/h9-10,12-13H,1-8H2.
What are the key properties of 2-[(3-fluoropropylamino)methyl]cyclohexan-1-ol?
2-[(3-fluoropropylamino)methyl]cyclohexan-1-ol has a molecular weight of 189.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoropropylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 81106704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).