4-[(dimethylamino)methyl]-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol

C20H26FNO — CID 68674974

IUPAC4-[(dimethylamino)methyl]-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol
SMILESCN(C)CC1(c2ccc3ccccc3c2)CCC(O)(CF)CC1
InChIInChI=1S/C20H26FNO/c1-22(2)15-19(9-11-20(23,14-21)12-10-19)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13,23H,9-12,14-15H2,1-2H3
InChIKeyUCBRSQJQBOWEBP-UHFFFAOYSA-N
MW315.43 g/mol
LogP3.91
Rot. Bonds4

About 4-[(dimethylamino)methyl]-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol

4-[(dimethylamino)methyl]-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol (PubChem CID 68674974) has the molecular formula C20H26FNO and a molecular weight of 315.43 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol
PubChem CID68674974
Molecular FormulaC20H26FNO
Molecular Weight315.43 g/mol
Exact Mass315.20
IUPAC Name4-[(dimethylamino)methyl]-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol
SMILESCN(C)CC1(c2ccc3ccccc3c2)CCC(O)(CF)CC1
InChIInChI=1S/C20H26FNO/c1-22(2)15-19(9-11-20(23,14-21)12-10-19)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13,23H,9-12,14-15H2,1-2H3
InChIKeyUCBRSQJQBOWEBP-UHFFFAOYSA-N
XLogP3.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol?
The IUPAC name of 4-[(dimethylamino)methyl]-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol (CID 68674974) is 4-[(dimethylamino)methyl]-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol.
What is the SMILES notation for 4-[(dimethylamino)methyl]-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol?
The canonical SMILES for 4-[(dimethylamino)methyl]-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol is CN(C)CC1(c2ccc3ccccc3c2)CCC(O)(CF)CC1.
What is the InChIKey of 4-[(dimethylamino)methyl]-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol?
The InChIKey is UCBRSQJQBOWEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO/c1-22(2)15-19(9-11-20(23,14-21)12-10-19)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13,23H,9-12,14-15H2,1-2H3.
What are the key properties of 4-[(dimethylamino)methyl]-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol?
4-[(dimethylamino)methyl]-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol has a molecular weight of 315.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol is sourced from PubChem (CID 68674974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).