methyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate

C18H14F2O2 — CID 58407203

IUPACmethyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1ccc(F)c(F)c1)=CCC2
InChIInChI=1S/C18H14F2O2/c1-22-18(21)13-6-5-11-3-2-4-14(15(11)9-13)12-7-8-16(19)17(20)10-12/h4-10H,2-3H2,1H3
InChIKeyFALCTFZJXXSTPY-UHFFFAOYSA-N
MW300.30 g/mol
LogP4.13
Rot. Bonds2

About methyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate

methyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate (PubChem CID 58407203) has the molecular formula C18H14F2O2 and a molecular weight of 300.30 g/mol. Its IUPAC name is methyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate
PubChem CID58407203
Molecular FormulaC18H14F2O2
Molecular Weight300.30 g/mol
Exact Mass300.10
IUPAC Namemethyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1ccc(F)c(F)c1)=CCC2
InChIInChI=1S/C18H14F2O2/c1-22-18(21)13-6-5-11-3-2-4-14(15(11)9-13)12-7-8-16(19)17(20)10-12/h4-10H,2-3H2,1H3
InChIKeyFALCTFZJXXSTPY-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 8-(3-acetylphenyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407405
methyl 8-(4-nitrophenyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407020
methyl 8-pyrazin-2-yl-5,6-dihydronaphthalene-2-carboxylate
CID 58406598
methyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407462
methyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate
CID 89076920
methyl 8-(4,6-dimethylcyclohepta-1,3,5-trien-1-yl)-5,6-dihydronaphthalene-2-carboxylate
CID 143762358
8-(2-fluoro-4-methoxyphenyl)-5,6-dihydronaphthalene-2-carbohydrazide
CID 70895520
methyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate
CID 58406691
methyl 5-phenyl-2,3-dihydro-1-benzoxepine-7-carboxylate
CID 58406511
methyl 4-[5-(3,4-dihydronaphthalen-1-yl)-1,3,4-oxadiazol-2-yl]benzoate
CID 126762850
3-fluoro-5-(2-fluoro-5-methoxycarbonylphenyl)benzoic acid
CID 53227934
methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate
CID 58406815

Frequently Asked Questions

What is the IUPAC name of methyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate?
The IUPAC name of methyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate (CID 58407203) is methyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)C(c1ccc(F)c(F)c1)=CCC2.
What is the InChIKey of methyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate?
The InChIKey is FALCTFZJXXSTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2O2/c1-22-18(21)13-6-5-11-3-2-4-14(15(11)9-13)12-7-8-16(19)17(20)10-12/h4-10H,2-3H2,1H3.
What are the key properties of methyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate?
methyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate has a molecular weight of 300.30 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 58407203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).