[2-(dimethylamino)phenyl]-[4-(trifluoromethyl)phenyl]methanol

C16H16F3NO — CID 102055783

IUPAC[2-(dimethylamino)phenyl]-[4-(trifluoromethyl)phenyl]methanol
SMILESCN(C)c1ccccc1C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO/c1-20(2)14-6-4-3-5-13(14)15(21)11-7-9-12(10-8-11)16(17,18)19/h3-10,15,21H,1-2H3
InChIKeySZINCILPPXAEAS-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.85
Rot. Bonds3

About [2-(dimethylamino)phenyl]-[4-(trifluoromethyl)phenyl]methanol

[2-(dimethylamino)phenyl]-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 102055783) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is [2-(dimethylamino)phenyl]-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(dimethylamino)phenyl]-[4-(trifluoromethyl)phenyl]methanol
PubChem CID102055783
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name[2-(dimethylamino)phenyl]-[4-(trifluoromethyl)phenyl]methanol
SMILESCN(C)c1ccccc1C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO/c1-20(2)14-6-4-3-5-13(14)15(21)11-7-9-12(10-8-11)16(17,18)19/h3-10,15,21H,1-2H3
InChIKeySZINCILPPXAEAS-UHFFFAOYSA-N
XLogP3.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)phenyl]-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2-(dimethylamino)phenyl]-[4-(trifluoromethyl)phenyl]methanol (CID 102055783) is [2-(dimethylamino)phenyl]-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2-(dimethylamino)phenyl]-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2-(dimethylamino)phenyl]-[4-(trifluoromethyl)phenyl]methanol is CN(C)c1ccccc1C(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-(dimethylamino)phenyl]-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is SZINCILPPXAEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-20(2)14-6-4-3-5-13(14)15(21)11-7-9-12(10-8-11)16(17,18)19/h3-10,15,21H,1-2H3.
What are the key properties of [2-(dimethylamino)phenyl]-[4-(trifluoromethyl)phenyl]methanol?
[2-(dimethylamino)phenyl]-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 295.30 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)phenyl]-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 102055783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).