(2-ethyl-5-fluoro-4-methylphenyl)-difluoroborane

C9H10BF3 — CID 161032343

IUPAC(2-ethyl-5-fluoro-4-methylphenyl)-difluoroborane
SMILESCCc1cc(C)c(F)cc1B(F)F
InChIInChI=1S/C9H10BF3/c1-3-7-4-6(2)9(11)5-8(7)10(12)13/h4-5H,3H2,1-2H3
InChIKeyYBONSKRJEAEQIE-UHFFFAOYSA-N
MW185.98 g/mol
LogP2.33
Rot. Bonds2

About (2-ethyl-5-fluoro-4-methylphenyl)-difluoroborane

(2-ethyl-5-fluoro-4-methylphenyl)-difluoroborane (PubChem CID 161032343) has the molecular formula C9H10BF3 and a molecular weight of 185.98 g/mol. Its IUPAC name is (2-ethyl-5-fluoro-4-methylphenyl)-difluoroborane.

Molecular Properties

Compound Name(2-ethyl-5-fluoro-4-methylphenyl)-difluoroborane
PubChem CID161032343
Molecular FormulaC9H10BF3
Molecular Weight185.98 g/mol
Exact Mass186.08
IUPAC Name(2-ethyl-5-fluoro-4-methylphenyl)-difluoroborane
SMILESCCc1cc(C)c(F)cc1B(F)F
InChIInChI=1S/C9H10BF3/c1-3-7-4-6(2)9(11)5-8(7)10(12)13/h4-5H,3H2,1-2H3
InChIKeyYBONSKRJEAEQIE-UHFFFAOYSA-N
XLogP2.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.98
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,5-difluoro-2-methyl-4-(methylsulfonylmethyl)benzene
CID 131983850
N,4-diethyl-5-fluoro-2-methylaniline
CID 144881437
3-ethyl-7-fluoro-6-methylquinolin-2-amine
CID 112674484
ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate
CID 171033782
1-bromo-2-ethyl-4,5-dimethylbenzene
CID 90213759
2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid
CID 119005832
5-ethyl-2-fluoro-4-methylbenzoic acid
CID 118515389
5-fluoro-2-(isocyanatomethyl)-4-methylbenzaldehyde
CID 117283363
1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79725175
5-ethyl-4-fluoro-2-methylphenol
CID 118092212
2-(aminomethyl)-4-fluoro-5-methylbenzaldehyde
CID 117276479
methyl 2-(bromomethyl)-5-fluoro-4-methylbenzoate
CID 171018123

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-fluoro-4-methylphenyl)-difluoroborane?
The IUPAC name of (2-ethyl-5-fluoro-4-methylphenyl)-difluoroborane (CID 161032343) is (2-ethyl-5-fluoro-4-methylphenyl)-difluoroborane.
What is the SMILES notation for (2-ethyl-5-fluoro-4-methylphenyl)-difluoroborane?
The canonical SMILES for (2-ethyl-5-fluoro-4-methylphenyl)-difluoroborane is CCc1cc(C)c(F)cc1B(F)F.
What is the InChIKey of (2-ethyl-5-fluoro-4-methylphenyl)-difluoroborane?
The InChIKey is YBONSKRJEAEQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BF3/c1-3-7-4-6(2)9(11)5-8(7)10(12)13/h4-5H,3H2,1-2H3.
What are the key properties of (2-ethyl-5-fluoro-4-methylphenyl)-difluoroborane?
(2-ethyl-5-fluoro-4-methylphenyl)-difluoroborane has a molecular weight of 185.98 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-fluoro-4-methylphenyl)-difluoroborane is sourced from PubChem (CID 161032343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).