[4-(difluoromethyl)phenyl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol

C17H17F2NO — CID 115524947

IUPAC[4-(difluoromethyl)phenyl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
SMILESOC(c1ccc(C(F)F)cc1)C1NCCc2ccccc21
InChIInChI=1S/C17H17F2NO/c18-17(19)13-7-5-12(6-8-13)16(21)15-14-4-2-1-3-11(14)9-10-20-15/h1-8,15-17,20-21H,9-10H2
InChIKeyQODLHYJOCZEMBF-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.54
Rot. Bonds3

About [4-(difluoromethyl)phenyl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol

[4-(difluoromethyl)phenyl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol (PubChem CID 115524947) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is [4-(difluoromethyl)phenyl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)phenyl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
PubChem CID115524947
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name[4-(difluoromethyl)phenyl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
SMILESOC(c1ccc(C(F)F)cc1)C1NCCc2ccccc21
InChIInChI=1S/C17H17F2NO/c18-17(19)13-7-5-12(6-8-13)16(21)15-14-4-2-1-3-11(14)9-10-20-15/h1-8,15-17,20-21H,9-10H2
InChIKeyQODLHYJOCZEMBF-UHFFFAOYSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[hydroxy(1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]benzonitrile
CID 115481178
1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol
CID 583448
(1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
CID 103572684
(1,5-dimethylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
CID 79584475
(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-phenylmethanol;hydrochloride
CID 141227263
(3-ethylimidazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
CID 66134741
3-methoxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-ol
CID 106676147
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
2-[4-(difluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-1-carbonitrile
CID 77105727
1-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 174787793
2,3-dihydro-1H-isoindol-1-yl(quinolin-6-yl)methanol
CID 65041727
(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol
CID 65041826

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)phenyl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol?
The IUPAC name of [4-(difluoromethyl)phenyl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol (CID 115524947) is [4-(difluoromethyl)phenyl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol.
What is the SMILES notation for [4-(difluoromethyl)phenyl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol?
The canonical SMILES for [4-(difluoromethyl)phenyl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol is OC(c1ccc(C(F)F)cc1)C1NCCc2ccccc21.
What is the InChIKey of [4-(difluoromethyl)phenyl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol?
The InChIKey is QODLHYJOCZEMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c18-17(19)13-7-5-12(6-8-13)16(21)15-14-4-2-1-3-11(14)9-10-20-15/h1-8,15-17,20-21H,9-10H2.
What are the key properties of [4-(difluoromethyl)phenyl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol?
[4-(difluoromethyl)phenyl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol has a molecular weight of 289.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)phenyl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol is sourced from PubChem (CID 115524947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).