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

C20H24FNO — CID 53342189

IUPAC(1R,2R,6R)-2-(dibenzylamino)-6-fluorocyclohexan-1-ol
SMILESO[C@H]1[C@H](F)CCC[C@H]1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H24FNO/c21-18-12-7-13-19(20(18)23)22(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,18-20,23H,7,12-15H2/t18-,19-,20+/m1/s1
InChIKeyHNRDHQUOZYMQAQ-AQNXPRMDSA-N
MW313.42 g/mol
LogP3.94
Rot. Bonds5

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

(1R,2R,6R)-2-(dibenzylamino)-6-fluorocyclohexan-1-ol (PubChem CID 53342189) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is (1R,2R,6R)-2-(dibenzylamino)-6-fluorocyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,6R)-2-(dibenzylamino)-6-fluorocyclohexan-1-ol
PubChem CID53342189
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Name(1R,2R,6R)-2-(dibenzylamino)-6-fluorocyclohexan-1-ol
SMILESO[C@H]1[C@H](F)CCC[C@H]1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H24FNO/c21-18-12-7-13-19(20(18)23)22(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,18-20,23H,7,12-15H2/t18-,19-,20+/m1/s1
InChIKeyHNRDHQUOZYMQAQ-AQNXPRMDSA-N
XLogP3.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R)-2-(dibenzylamino)-6-fluorocyclohexan-1-ol?
The IUPAC name of (1R,2R,6R)-2-(dibenzylamino)-6-fluorocyclohexan-1-ol (CID 53342189) is (1R,2R,6R)-2-(dibenzylamino)-6-fluorocyclohexan-1-ol.
What is the SMILES notation for (1R,2R,6R)-2-(dibenzylamino)-6-fluorocyclohexan-1-ol?
The canonical SMILES for (1R,2R,6R)-2-(dibenzylamino)-6-fluorocyclohexan-1-ol is O[C@H]1[C@H](F)CCC[C@H]1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (1R,2R,6R)-2-(dibenzylamino)-6-fluorocyclohexan-1-ol?
The InChIKey is HNRDHQUOZYMQAQ-AQNXPRMDSA-N. The full InChI is InChI=1S/C20H24FNO/c21-18-12-7-13-19(20(18)23)22(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,18-20,23H,7,12-15H2/t18-,19-,20+/m1/s1.
What are the key properties of (1R,2R,6R)-2-(dibenzylamino)-6-fluorocyclohexan-1-ol?
(1R,2R,6R)-2-(dibenzylamino)-6-fluorocyclohexan-1-ol has a molecular weight of 313.42 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R)-2-(dibenzylamino)-6-fluorocyclohexan-1-ol is sourced from PubChem (CID 53342189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).