1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile

C18H15F2N — CID 114934729

IUPAC1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESN#CC1(Cc2c(F)cccc2F)CCCc2ccccc21
InChIInChI=1S/C18H15F2N/c19-16-8-3-9-17(20)14(16)11-18(12-21)10-4-6-13-5-1-2-7-15(13)18/h1-3,5,7-9H,4,6,10-11H2
InChIKeyOBHYOAFRDKNBEU-UHFFFAOYSA-N
MW283.32 g/mol
LogP4.31
Rot. Bonds2

About 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile

1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile (PubChem CID 114934729) has the molecular formula C18H15F2N and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
PubChem CID114934729
Molecular FormulaC18H15F2N
Molecular Weight283.32 g/mol
Exact Mass283.12
IUPAC Name1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESN#CC1(Cc2c(F)cccc2F)CCCc2ccccc21
InChIInChI=1S/C18H15F2N/c19-16-8-3-9-17(20)14(16)11-18(12-21)10-4-6-13-5-1-2-7-15(13)18/h1-3,5,7-9H,4,6,10-11H2
InChIKeyOBHYOAFRDKNBEU-UHFFFAOYSA-N
XLogP4.31
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-bromophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 65376816
1-(2-methylsulfonylethyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 65376812
1-octyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 65376390
1-(4-methoxybutyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 104650512
1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 114277353
(1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile
CID 6925451
1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile
CID 65408435
5-[(2-chloro-3-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 115983446
1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroindene-1-carbonitrile
CID 112645128
1-(5-fluoropentyl)-2,3-dihydroindene-1-carbonitrile
CID 114280383
1-butyl-2,3-dihydroindene-1-carbonitrile
CID 65408816
4-[(2,3-difluorophenyl)methyl]-2,3-dihydrochromene-4-carbonitrile
CID 65415725

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile (CID 114934729) is 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile is N#CC1(Cc2c(F)cccc2F)CCCc2ccccc21.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The InChIKey is OBHYOAFRDKNBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N/c19-16-8-3-9-17(20)14(16)11-18(12-21)10-4-6-13-5-1-2-7-15(13)18/h1-3,5,7-9H,4,6,10-11H2.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile?
1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile has a molecular weight of 283.32 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile is sourced from PubChem (CID 114934729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).