(7-fluoro-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate

C20H19FO2 — CID 89475205

IUPAC(7-fluoro-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(c2ccccc2)CCCc2ccc(F)cc21
InChIInChI=1S/C20H19FO2/c1-14(2)19(22)23-20(16-8-4-3-5-9-16)12-6-7-15-10-11-17(21)13-18(15)20/h3-5,8-11,13H,1,6-7,12H2,2H3
InChIKeyYXXWHPQQACXPHF-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.52
Rot. Bonds3

About (7-fluoro-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate

(7-fluoro-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate (PubChem CID 89475205) has the molecular formula C20H19FO2 and a molecular weight of 310.37 g/mol. Its IUPAC name is (7-fluoro-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(7-fluoro-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate
PubChem CID89475205
Molecular FormulaC20H19FO2
Molecular Weight310.37 g/mol
Exact Mass310.14
IUPAC Name(7-fluoro-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(c2ccccc2)CCCc2ccc(F)cc21
InChIInChI=1S/C20H19FO2/c1-14(2)19(22)23-20(16-8-4-3-5-9-16)12-6-7-15-10-11-17(21)13-18(15)20/h3-5,8-11,13H,1,6-7,12H2,2H3
InChIKeyYXXWHPQQACXPHF-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(7-fluoro-1-thiophen-2-yl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate
CID 89475201
(6-fluoro-1-propan-2-yl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate
CID 89475140
(6-fluoro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate
CID 89475138
(5-methylspiro[7,8,9,10-tetrahydrobenzo[8]annulene-6,1'-cyclopentane]-5-yl) 2-methylprop-2-enoate
CID 58341765
(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate
CID 89397792
(5-prop-2-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate
CID 58341803
(4S)-7-fluoro-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene
CID 137495957
(1-ethyl-5,6-difluoro-2,3-dihydroinden-1-yl) 2-methylprop-2-enoate
CID 89475114
(10-oxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate
CID 67891178
(1-ethenyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate
CID 89475199
ethyl 2-(7-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 23293598
1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 105393720

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate?
The IUPAC name of (7-fluoro-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate (CID 89475205) is (7-fluoro-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (7-fluoro-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate?
The canonical SMILES for (7-fluoro-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(c2ccccc2)CCCc2ccc(F)cc21.
What is the InChIKey of (7-fluoro-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate?
The InChIKey is YXXWHPQQACXPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FO2/c1-14(2)19(22)23-20(16-8-4-3-5-9-16)12-6-7-15-10-11-17(21)13-18(15)20/h3-5,8-11,13H,1,6-7,12H2,2H3.
What are the key properties of (7-fluoro-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate?
(7-fluoro-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate has a molecular weight of 310.37 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 89475205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).