ethyl-fluoro-[1-(6-methoxynaphthalen-2-yl)prop-1-enoxy]borane

C16H18BFO2 — CID 123357196

IUPACethyl-fluoro-[1-(6-methoxynaphthalen-2-yl)prop-1-enoxy]borane
SMILESCC=C(OB(F)CC)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H18BFO2/c1-4-16(20-17(18)5-2)14-7-6-13-11-15(19-3)9-8-12(13)10-14/h4,6-11H,5H2,1-3H3
InChIKeyNAMQIEGOPDYBGY-UHFFFAOYSA-N
MW272.13 g/mol
LogP4.70
Rot. Bonds5

About ethyl-fluoro-[1-(6-methoxynaphthalen-2-yl)prop-1-enoxy]borane

ethyl-fluoro-[1-(6-methoxynaphthalen-2-yl)prop-1-enoxy]borane (PubChem CID 123357196) has the molecular formula C16H18BFO2 and a molecular weight of 272.13 g/mol. Its IUPAC name is ethyl-fluoro-[1-(6-methoxynaphthalen-2-yl)prop-1-enoxy]borane.

Molecular Properties

Compound Nameethyl-fluoro-[1-(6-methoxynaphthalen-2-yl)prop-1-enoxy]borane
PubChem CID123357196
Molecular FormulaC16H18BFO2
Molecular Weight272.13 g/mol
Exact Mass272.14
IUPAC Nameethyl-fluoro-[1-(6-methoxynaphthalen-2-yl)prop-1-enoxy]borane
SMILESCC=C(OB(F)CC)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H18BFO2/c1-4-16(20-17(18)5-2)14-7-6-13-11-15(19-3)9-8-12(13)10-14/h4,6-11H,5H2,1-3H3
InChIKeyNAMQIEGOPDYBGY-UHFFFAOYSA-N
XLogP4.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-(6-methoxynaphthalen-2-yl)but-2-enenitrile
CID 76913798
1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene
CID 10329885
1-[(E)-1-ethoxyprop-1-enyl]-4-methoxybenzene
CID 12531526
ethyl N-[(E)-2-(6-methoxynaphthalen-2-yl)prop-1-enyl]carbamate
CID 10424062
(Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal
CID 42611332
2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 103750502
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
1-methoxy-4-pent-2-en-3-ylbenzene
CID 85440848
2-[1,2-difluoro-2-(4-prop-2-enoxyphenyl)ethenyl]-6-methoxynaphthalene
CID 139863491
2-(ethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 138739949
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
CID 24726833
2-methoxy-6-[(2E)-5-methylhepta-2,6-dien-3-yl]naphthalene
CID 144702282

Frequently Asked Questions

What is the IUPAC name of ethyl-fluoro-[1-(6-methoxynaphthalen-2-yl)prop-1-enoxy]borane?
The IUPAC name of ethyl-fluoro-[1-(6-methoxynaphthalen-2-yl)prop-1-enoxy]borane (CID 123357196) is ethyl-fluoro-[1-(6-methoxynaphthalen-2-yl)prop-1-enoxy]borane.
What is the SMILES notation for ethyl-fluoro-[1-(6-methoxynaphthalen-2-yl)prop-1-enoxy]borane?
The canonical SMILES for ethyl-fluoro-[1-(6-methoxynaphthalen-2-yl)prop-1-enoxy]borane is CC=C(OB(F)CC)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of ethyl-fluoro-[1-(6-methoxynaphthalen-2-yl)prop-1-enoxy]borane?
The InChIKey is NAMQIEGOPDYBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BFO2/c1-4-16(20-17(18)5-2)14-7-6-13-11-15(19-3)9-8-12(13)10-14/h4,6-11H,5H2,1-3H3.
What are the key properties of ethyl-fluoro-[1-(6-methoxynaphthalen-2-yl)prop-1-enoxy]borane?
ethyl-fluoro-[1-(6-methoxynaphthalen-2-yl)prop-1-enoxy]borane has a molecular weight of 272.13 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-fluoro-[1-(6-methoxynaphthalen-2-yl)prop-1-enoxy]borane is sourced from PubChem (CID 123357196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).