(1R,2R,6R)-2-(benzylamino)-6-fluorocyclohexan-1-ol

C13H18FNO — CID 71500777

IUPAC(1R,2R,6R)-2-(benzylamino)-6-fluorocyclohexan-1-ol
SMILESO[C@H]1[C@H](F)CCC[C@H]1NCc1ccccc1
InChIInChI=1S/C13H18FNO/c14-11-7-4-8-12(13(11)16)15-9-10-5-2-1-3-6-10/h1-3,5-6,11-13,15-16H,4,7-9H2/t11-,12-,13+/m1/s1
InChIKeyZFHDLLGEEDPSPR-UPJWGTAASA-N
MW223.29 g/mol
LogP2.03
Rot. Bonds3

About (1R,2R,6R)-2-(benzylamino)-6-fluorocyclohexan-1-ol

(1R,2R,6R)-2-(benzylamino)-6-fluorocyclohexan-1-ol (PubChem CID 71500777) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (1R,2R,6R)-2-(benzylamino)-6-fluorocyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,6R)-2-(benzylamino)-6-fluorocyclohexan-1-ol
PubChem CID71500777
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(1R,2R,6R)-2-(benzylamino)-6-fluorocyclohexan-1-ol
SMILESO[C@H]1[C@H](F)CCC[C@H]1NCc1ccccc1
InChIInChI=1S/C13H18FNO/c14-11-7-4-8-12(13(11)16)15-9-10-5-2-1-3-6-10/h1-3,5-6,11-13,15-16H,4,7-9H2/t11-,12-,13+/m1/s1
InChIKeyZFHDLLGEEDPSPR-UPJWGTAASA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R)-2-(benzylamino)-6-fluorocyclohexan-1-ol?
The IUPAC name of (1R,2R,6R)-2-(benzylamino)-6-fluorocyclohexan-1-ol (CID 71500777) is (1R,2R,6R)-2-(benzylamino)-6-fluorocyclohexan-1-ol.
What is the SMILES notation for (1R,2R,6R)-2-(benzylamino)-6-fluorocyclohexan-1-ol?
The canonical SMILES for (1R,2R,6R)-2-(benzylamino)-6-fluorocyclohexan-1-ol is O[C@H]1[C@H](F)CCC[C@H]1NCc1ccccc1.
What is the InChIKey of (1R,2R,6R)-2-(benzylamino)-6-fluorocyclohexan-1-ol?
The InChIKey is ZFHDLLGEEDPSPR-UPJWGTAASA-N. The full InChI is InChI=1S/C13H18FNO/c14-11-7-4-8-12(13(11)16)15-9-10-5-2-1-3-6-10/h1-3,5-6,11-13,15-16H,4,7-9H2/t11-,12-,13+/m1/s1.
What are the key properties of (1R,2R,6R)-2-(benzylamino)-6-fluorocyclohexan-1-ol?
(1R,2R,6R)-2-(benzylamino)-6-fluorocyclohexan-1-ol has a molecular weight of 223.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R)-2-(benzylamino)-6-fluorocyclohexan-1-ol is sourced from PubChem (CID 71500777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).