8-[(3,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline

C16H15F2N — CID 63968465

IUPAC8-[(3,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESFc1cc(F)cc(Cc2cccc3c2NCCC3)c1
InChIInChI=1S/C16H15F2N/c17-14-8-11(9-15(18)10-14)7-13-4-1-3-12-5-2-6-19-16(12)13/h1,3-4,8-10,19H,2,5-7H2
InChIKeyCQJQBRCJNBPMDV-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.91
Rot. Bonds2

About 8-[(3,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline

8-[(3,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 63968465) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is 8-[(3,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[(3,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID63968465
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name8-[(3,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESFc1cc(F)cc(Cc2cccc3c2NCCC3)c1
InChIInChI=1S/C16H15F2N/c17-14-8-11(9-15(18)10-14)7-13-4-1-3-12-5-2-6-19-16(12)13/h1,3-4,8-10,19H,2,5-7H2
InChIKeyCQJQBRCJNBPMDV-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline
CID 63970552
8-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64989812
N-[(3,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-indol-7-yl)-N-methylmethanamine;hydrochloride
CID 120849308
8-(chrysen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 174468516
2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 83078170
8-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114522671
6,8-dibenzyl-1,2,3,4-tetrahydroquinoline
CID 142306850
8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779417
2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine
CID 84655683
8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 82510182
8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,3,4-tetrahydroquinoline
CID 102708769
1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648669

Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[(3,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline (CID 63968465) is 8-[(3,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[(3,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[(3,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline is Fc1cc(F)cc(Cc2cccc3c2NCCC3)c1.
What is the InChIKey of 8-[(3,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is CQJQBRCJNBPMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N/c17-14-8-11(9-15(18)10-14)7-13-4-1-3-12-5-2-6-19-16(12)13/h1,3-4,8-10,19H,2,5-7H2.
What are the key properties of 8-[(3,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline?
8-[(3,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 259.30 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63968465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).