(1S,2S,6R)-2-(ethylamino)-6-fluorocyclohexan-1-ol

C8H16FNO — CID 121359009

IUPAC(1S,2S,6R)-2-(ethylamino)-6-fluorocyclohexan-1-ol
SMILESCCN[C@H]1CCC[C@@H](F)[C@H]1O
InChIInChI=1S/C8H16FNO/c1-2-10-7-5-3-4-6(9)8(7)11/h6-8,10-11H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyDITXFAPSWDBZJM-GJMOJQLCSA-N
MW161.22 g/mol
LogP0.85
Rot. Bonds2

About (1S,2S,6R)-2-(ethylamino)-6-fluorocyclohexan-1-ol

(1S,2S,6R)-2-(ethylamino)-6-fluorocyclohexan-1-ol (PubChem CID 121359009) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (1S,2S,6R)-2-(ethylamino)-6-fluorocyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,6R)-2-(ethylamino)-6-fluorocyclohexan-1-ol
PubChem CID121359009
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(1S,2S,6R)-2-(ethylamino)-6-fluorocyclohexan-1-ol
SMILESCCN[C@H]1CCC[C@@H](F)[C@H]1O
InChIInChI=1S/C8H16FNO/c1-2-10-7-5-3-4-6(9)8(7)11/h6-8,10-11H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyDITXFAPSWDBZJM-GJMOJQLCSA-N
XLogP0.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S,6R)-2-(ethylamino)-6-fluorocyclohexan-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 (1S,2S,6R)-2-(ethylamino)-6-fluorocyclohexan-1-ol?
The IUPAC name of (1S,2S,6R)-2-(ethylamino)-6-fluorocyclohexan-1-ol (CID 121359009) is (1S,2S,6R)-2-(ethylamino)-6-fluorocyclohexan-1-ol.
What is the SMILES notation for (1S,2S,6R)-2-(ethylamino)-6-fluorocyclohexan-1-ol?
The canonical SMILES for (1S,2S,6R)-2-(ethylamino)-6-fluorocyclohexan-1-ol is CCN[C@H]1CCC[C@@H](F)[C@H]1O.
What is the InChIKey of (1S,2S,6R)-2-(ethylamino)-6-fluorocyclohexan-1-ol?
The InChIKey is DITXFAPSWDBZJM-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-10-7-5-3-4-6(9)8(7)11/h6-8,10-11H,2-5H2,1H3/t6-,7+,8-/m1/s1.
What are the key properties of (1S,2S,6R)-2-(ethylamino)-6-fluorocyclohexan-1-ol?
(1S,2S,6R)-2-(ethylamino)-6-fluorocyclohexan-1-ol has a molecular weight of 161.22 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R)-2-(ethylamino)-6-fluorocyclohexan-1-ol is sourced from PubChem (CID 121359009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).