[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium

C14H16ClFNO2+ — CID 7425278

IUPAC[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
SMILESC[C@H](O)C[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C14H15ClFNO2/c1-9(18)7-17-8-11-3-5-14(19-11)10-2-4-13(16)12(15)6-10/h2-6,9,17-18H,7-8H2,1H3/p+1/t9-/m0/s1
InChIKeyJGIOORNBPKXPNW-VIFPVBQESA-O
MW284.74 g/mol
LogP2.18
Rot. Bonds5

About [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium

[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium (PubChem CID 7425278) has the molecular formula C14H16ClFNO2+ and a molecular weight of 284.74 g/mol. Its IUPAC name is [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium.

Molecular Properties

Compound Name[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
PubChem CID7425278
Molecular FormulaC14H16ClFNO2+
Molecular Weight284.74 g/mol
Exact Mass284.08
IUPAC Name[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
SMILESC[C@H](O)C[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C14H15ClFNO2/c1-9(18)7-17-8-11-3-5-14(19-11)10-2-4-13(16)12(15)6-10/h2-6,9,17-18H,7-8H2,1H3/p+1/t9-/m0/s1
InChIKeyJGIOORNBPKXPNW-VIFPVBQESA-O
XLogP2.18
TPSA49.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium
CID 7425272
[5-(3-chlorophenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium
CID 7380206
2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium
CID 7425291
[(1R)-1-(1-adamantyl)ethyl]-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]azanium
CID 8637590
(2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine
CID 8637675
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17333094
[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 8637736
[5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(2R)-2-hydroxypropyl]azaniumyl]ethyl]azanium
CID 7425197
2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylamino]acetonitrile
CID 4724597
3-[5-(3-chloro-4-fluorophenyl)furan-2-yl]propanoic acid
CID 155486740
(2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium
CID 8638991
[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium
CID 8622860

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium?
The IUPAC name of [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium (CID 7425278) is [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium.
What is the SMILES notation for [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium?
The canonical SMILES for [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium is C[C@H](O)C[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1.
What is the InChIKey of [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium?
The InChIKey is JGIOORNBPKXPNW-VIFPVBQESA-O. The full InChI is InChI=1S/C14H15ClFNO2/c1-9(18)7-17-8-11-3-5-14(19-11)10-2-4-13(16)12(15)6-10/h2-6,9,17-18H,7-8H2,1H3/p+1/t9-/m0/s1.
What are the key properties of [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium?
[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium has a molecular weight of 284.74 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium is sourced from PubChem (CID 7425278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).