CID 123142701

C17H14BFO — CID 123142701

IUPAC—
SMILES[B]c1ccc(F)c(COc2ccc3c(c2)CC2CC32)c1
InChIInChI=1S/C17H14BFO/c18-13-1-4-17(19)12(6-13)9-20-14-2-3-15-10(7-14)5-11-8-16(11)15/h1-4,6-7,11,16H,5,8-9H2
InChIKeyNFVOILRINGBRHX-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.86
Rot. Bonds3

About CID 123142701

CID 123142701 (PubChem CID 123142701) has the molecular formula C17H14BFO and a molecular weight of 264.11 g/mol.

Molecular Properties

Compound NameCID 123142701
PubChem CID123142701
Molecular FormulaC17H14BFO
Molecular Weight264.11 g/mol
Exact Mass264.11
IUPAC Name—
SMILES[B]c1ccc(F)c(COc2ccc3c(c2)CC2CC32)c1
InChIInChI=1S/C17H14BFO/c18-13-1-4-17(19)12(6-13)9-20-14-2-3-15-10(7-14)5-11-8-16(11)15/h1-4,6-7,11,16H,5,8-9H2
InChIKeyNFVOILRINGBRHX-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[5-[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yloxymethyl)-4-fluorophenyl]-6-methyl-2-pyridinyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 144863722
N-[[1-[5-[3-[[(6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 166804489
6-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yloxymethyl)-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol
CID 144962325
5-[(5-chloro-2-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683270
3-[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yloxymethyl)-2,4-difluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine
CID 144870885
5-[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yloxymethyl)-2,4-difluorophenyl]-4,6-dimethyl-2-(4-phenylpiperidin-1-yl)pyrimidine
CID 144863764
CID 123839830
CID 123839830
2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene
CID 83233544
8-[[2-fluoro-5-[2-methyl-4-(3-methylsulfonylpropoxy)phenyl]-4-(trifluoromethyl)phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene
CID 144825588
(2R)-8-[[2-fluoro-5-[4-methyl-6-(3-methylsulfinylpropoxy)-3-pyridinyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene
CID 155149063
(1S,1aS,6aR)-4-[[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 118182733
5-[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yloxymethyl)phenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine
CID 144863726

Frequently Asked Questions

What is the IUPAC name of CID 123142701?
The IUPAC name of CID 123142701 (CID 123142701) is not available.
What is the SMILES notation for CID 123142701?
The canonical SMILES for CID 123142701 is [B]c1ccc(F)c(COc2ccc3c(c2)CC2CC32)c1.
What is the InChIKey of CID 123142701?
The InChIKey is NFVOILRINGBRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BFO/c18-13-1-4-17(19)12(6-13)9-20-14-2-3-15-10(7-14)5-11-8-16(11)15/h1-4,6-7,11,16H,5,8-9H2.
What are the key properties of CID 123142701?
CID 123142701 has a molecular weight of 264.11 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123142701 is sourced from PubChem (CID 123142701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).