1-amino-2-fluorocyclohexan-1-ol

C6H12FNO — CID 172807708

IUPAC1-amino-2-fluorocyclohexan-1-ol
SMILESNC1(O)CCCCC1F
InChIInChI=1S/C6H12FNO/c7-5-3-1-2-4-6(5,8)9/h5,9H,1-4,8H2
InChIKeyRSYRNPXDGYPCHU-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.55
Rot. Bonds

About 1-amino-2-fluorocyclohexan-1-ol

1-amino-2-fluorocyclohexan-1-ol (PubChem CID 172807708) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 1-amino-2-fluorocyclohexan-1-ol.

Molecular Properties

Compound Name1-amino-2-fluorocyclohexan-1-ol
PubChem CID172807708
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name1-amino-2-fluorocyclohexan-1-ol
SMILESNC1(O)CCCCC1F
InChIInChI=1S/C6H12FNO/c7-5-3-1-2-4-6(5,8)9/h5,9H,1-4,8H2
InChIKeyRSYRNPXDGYPCHU-UHFFFAOYSA-N
XLogP0.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-fluorocyclohexan-1-ol?
The IUPAC name of 1-amino-2-fluorocyclohexan-1-ol (CID 172807708) is 1-amino-2-fluorocyclohexan-1-ol.
What is the SMILES notation for 1-amino-2-fluorocyclohexan-1-ol?
The canonical SMILES for 1-amino-2-fluorocyclohexan-1-ol is NC1(O)CCCCC1F.
What is the InChIKey of 1-amino-2-fluorocyclohexan-1-ol?
The InChIKey is RSYRNPXDGYPCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c7-5-3-1-2-4-6(5,8)9/h5,9H,1-4,8H2.
What are the key properties of 1-amino-2-fluorocyclohexan-1-ol?
1-amino-2-fluorocyclohexan-1-ol has a molecular weight of 133.17 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-fluorocyclohexan-1-ol is sourced from PubChem (CID 172807708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).