2-[3-(difluoromethylidene)-5-phenylpentyl]-3-methylnaphthalene

C23H22F2 — CID 24939089

IUPAC2-[3-(difluoromethylidene)-5-phenylpentyl]-3-methylnaphthalene
SMILESCc1cc2ccccc2cc1CCC(CCc1ccccc1)=C(F)F
InChIInChI=1S/C23H22F2/c1-17-15-21-9-5-6-10-22(21)16-20(17)14-13-19(23(24)25)12-11-18-7-3-2-4-8-18/h2-10,15-16H,11-14H2,1H3
InChIKeyMOLFSPJYHPNUIQ-UHFFFAOYSA-N
MW336.43 g/mol
LogP6.86
Rot. Bonds6

About 2-[3-(difluoromethylidene)-5-phenylpentyl]-3-methylnaphthalene

2-[3-(difluoromethylidene)-5-phenylpentyl]-3-methylnaphthalene (PubChem CID 24939089) has the molecular formula C23H22F2 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-[3-(difluoromethylidene)-5-phenylpentyl]-3-methylnaphthalene.

Molecular Properties

Compound Name2-[3-(difluoromethylidene)-5-phenylpentyl]-3-methylnaphthalene
PubChem CID24939089
Molecular FormulaC23H22F2
Molecular Weight336.43 g/mol
Exact Mass336.17
IUPAC Name2-[3-(difluoromethylidene)-5-phenylpentyl]-3-methylnaphthalene
SMILESCc1cc2ccccc2cc1CCC(CCc1ccccc1)=C(F)F
InChIInChI=1S/C23H22F2/c1-17-15-21-9-5-6-10-22(21)16-20(17)14-13-19(23(24)25)12-11-18-7-3-2-4-8-18/h2-10,15-16H,11-14H2,1H3
InChIKeyMOLFSPJYHPNUIQ-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(difluoromethylidene)-6-phenylhexan-2-ol
CID 134988046
2-butyl-3-methylnaphthalene
CID 173304138
4-fluoro-2-methyl-1-(2-phenylethyl)benzene
CID 90778447
N-methyl-1-(3-methylnaphthalen-2-yl)methanamine
CID 90797277
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene
CID 91426393
N-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine
CID 1388399
2,4-dimethyl-1-(2-phenylethyl)benzene;gold
CID 173364905
N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 59522903
(3,4-dimethylphenyl) 3-phenylpropanoate
CID 733835
1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine
CID 114347745

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethylidene)-5-phenylpentyl]-3-methylnaphthalene?
The IUPAC name of 2-[3-(difluoromethylidene)-5-phenylpentyl]-3-methylnaphthalene (CID 24939089) is 2-[3-(difluoromethylidene)-5-phenylpentyl]-3-methylnaphthalene.
What is the SMILES notation for 2-[3-(difluoromethylidene)-5-phenylpentyl]-3-methylnaphthalene?
The canonical SMILES for 2-[3-(difluoromethylidene)-5-phenylpentyl]-3-methylnaphthalene is Cc1cc2ccccc2cc1CCC(CCc1ccccc1)=C(F)F.
What is the InChIKey of 2-[3-(difluoromethylidene)-5-phenylpentyl]-3-methylnaphthalene?
The InChIKey is MOLFSPJYHPNUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2/c1-17-15-21-9-5-6-10-22(21)16-20(17)14-13-19(23(24)25)12-11-18-7-3-2-4-8-18/h2-10,15-16H,11-14H2,1H3.
What are the key properties of 2-[3-(difluoromethylidene)-5-phenylpentyl]-3-methylnaphthalene?
2-[3-(difluoromethylidene)-5-phenylpentyl]-3-methylnaphthalene has a molecular weight of 336.43 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethylidene)-5-phenylpentyl]-3-methylnaphthalene is sourced from PubChem (CID 24939089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).