CID 147089928

C15H20BF2NO — CID 147089928

IUPAC—
SMILES[B]N1CCC(CCCOc2cc(F)c(C)c(F)c2)CC1
InChIInChI=1S/C15H20BF2NO/c1-11-14(17)9-13(10-15(11)18)20-8-2-3-12-4-6-19(16)7-5-12/h9-10,12H,2-8H2,1H3
InChIKeyRVFNOXRTUWVUKV-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.23
Rot. Bonds5

About CID 147089928

CID 147089928 (PubChem CID 147089928) has the molecular formula C15H20BF2NO and a molecular weight of 279.14 g/mol.

Molecular Properties

Compound NameCID 147089928
PubChem CID147089928
Molecular FormulaC15H20BF2NO
Molecular Weight279.14 g/mol
Exact Mass279.16
IUPAC Name—
SMILES[B]N1CCC(CCCOc2cc(F)c(C)c(F)c2)CC1
InChIInChI=1S/C15H20BF2NO/c1-11-14(17)9-13(10-15(11)18)20-8-2-3-12-4-6-19(16)7-5-12/h9-10,12H,2-8H2,1H3
InChIKeyRVFNOXRTUWVUKV-UHFFFAOYSA-N
XLogP3.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2,6-difluoro-4-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propoxy]phenyl]-5-methyl-1,3,4-oxadiazole
CID 71522454
ethyl 4-[3-(3-fluoro-4-methylsulfonylphenoxy)propyl]piperidine-1-carboxylate
CID 59233990
5-[(4-butylcyclohexyl)-difluoromethoxy]-1,3-difluoro-2-methylbenzene
CID 134472887
tert-butyl 4-[3-[4-(ethylcarbamoyl)-3,5-difluorophenoxy]propyl]piperidine-1-carboxylate
CID 59234081
tert-butyl 4-[3-[4-[ethyl(hydroxy)carbamoyl]-3,5-difluorophenoxy]propyl]piperidine-1-carboxylate
CID 87261464
4-[3-(1-chloropiperidin-4-yl)propoxy]-2,6-dimethylbenzoic acid
CID 87664259
1-[4-[3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]propoxy]-2,6-difluorophenyl]ethanone
CID 147226565
tert-butyl 4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine-1-carboxylate
CID 59234126
3-[2,6-difluoro-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]phenyl]-5-methyl-1,2,4-oxadiazole
CID 121304357
2-fluoro-4-[3-(4-pentylcyclohexyl)propoxy]phenol
CID 54421133
2-[4-[3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]propoxy]-2,6-difluorophenyl]-5-propan-2-yl-1,3,4-thiadiazole
CID 121304342
4-[3-(2-chloro-3-fluorophenoxy)propyl]-1-methylpiperidine
CID 91255595

Frequently Asked Questions

What is the IUPAC name of CID 147089928?
The IUPAC name of CID 147089928 (CID 147089928) is not available.
What is the SMILES notation for CID 147089928?
The canonical SMILES for CID 147089928 is [B]N1CCC(CCCOc2cc(F)c(C)c(F)c2)CC1.
What is the InChIKey of CID 147089928?
The InChIKey is RVFNOXRTUWVUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BF2NO/c1-11-14(17)9-13(10-15(11)18)20-8-2-3-12-4-6-19(16)7-5-12/h9-10,12H,2-8H2,1H3.
What are the key properties of CID 147089928?
CID 147089928 has a molecular weight of 279.14 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147089928 is sourced from PubChem (CID 147089928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).