1-[(2,5-difluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol

C16H23F2NO — CID 13233404

IUPAC1-[(2,5-difluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CCCCC1(O)Cc1cc(F)ccc1F
InChIInChI=1S/C16H23F2NO/c1-19(2)11-13-5-3-4-8-16(13,20)10-12-9-14(17)6-7-15(12)18/h6-7,9,13,20H,3-5,8,10-11H2,1-2H3
InChIKeyGEQZOLWUFWXHKF-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.99
Rot. Bonds4

About 1-[(2,5-difluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol

1-[(2,5-difluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol (PubChem CID 13233404) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol
PubChem CID13233404
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name1-[(2,5-difluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CCCCC1(O)Cc1cc(F)ccc1F
InChIInChI=1S/C16H23F2NO/c1-19(2)11-13-5-3-4-8-16(13,20)10-12-9-14(17)6-7-15(12)18/h6-7,9,13,20H,3-5,8,10-11H2,1-2H3
InChIKeyGEQZOLWUFWXHKF-UHFFFAOYSA-N
XLogP2.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol (CID 13233404) is 1-[(2,5-difluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol is CN(C)CC1CCCCC1(O)Cc1cc(F)ccc1F.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The InChIKey is GEQZOLWUFWXHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-19(2)11-13-5-3-4-8-16(13,20)10-12-9-14(17)6-7-15(12)18/h6-7,9,13,20H,3-5,8,10-11H2,1-2H3.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol?
1-[(2,5-difluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol has a molecular weight of 283.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 13233404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).