[2-(cyclopropylmethoxy)-4-[2-(3,5-dichloro-4-pyridinyl)-1-hydroxyethyl]phenyl] hypofluorite

C17H16Cl2FNO3 — CID 70861939

IUPAC[2-(cyclopropylmethoxy)-4-[2-(3,5-dichloro-4-pyridinyl)-1-hydroxyethyl]phenyl] hypofluorite
SMILESOC(Cc1c(Cl)cncc1Cl)c1ccc(OF)c(OCC2CC2)c1
InChIInChI=1S/C17H16Cl2FNO3/c18-13-7-21-8-14(19)12(13)6-15(22)11-3-4-16(24-20)17(5-11)23-9-10-1-2-10/h3-5,7-8,10,15,22H,1-2,6,9H2
InChIKeyOBNACDRXLWBJBL-UHFFFAOYSA-N
MW372.22 g/mol
LogP4.72
Rot. Bonds7

About [2-(cyclopropylmethoxy)-4-[2-(3,5-dichloro-4-pyridinyl)-1-hydroxyethyl]phenyl] hypofluorite

[2-(cyclopropylmethoxy)-4-[2-(3,5-dichloro-4-pyridinyl)-1-hydroxyethyl]phenyl] hypofluorite (PubChem CID 70861939) has the molecular formula C17H16Cl2FNO3 and a molecular weight of 372.22 g/mol. Its IUPAC name is [2-(cyclopropylmethoxy)-4-[2-(3,5-dichloro-4-pyridinyl)-1-hydroxyethyl]phenyl] hypofluorite.

Molecular Properties

Compound Name[2-(cyclopropylmethoxy)-4-[2-(3,5-dichloro-4-pyridinyl)-1-hydroxyethyl]phenyl] hypofluorite
PubChem CID70861939
Molecular FormulaC17H16Cl2FNO3
Molecular Weight372.22 g/mol
Exact Mass371.05
IUPAC Name[2-(cyclopropylmethoxy)-4-[2-(3,5-dichloro-4-pyridinyl)-1-hydroxyethyl]phenyl] hypofluorite
SMILESOC(Cc1c(Cl)cncc1Cl)c1ccc(OF)c(OCC2CC2)c1
InChIInChI=1S/C17H16Cl2FNO3/c18-13-7-21-8-14(19)12(13)6-15(22)11-3-4-16(24-20)17(5-11)23-9-10-1-2-10/h3-5,7-8,10,15,22H,1-2,6,9H2
InChIKeyOBNACDRXLWBJBL-UHFFFAOYSA-N
XLogP4.72
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chlorooxy-4-[(2S)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-pyridinyl] hypochlorite
CID 134323952
3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]propyl]pyridine
CID 71201853
(1S)-2-(3-chloro-4-pyridinyl)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethanol
CID 129109350
1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethanol
CID 71092576
[1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethyl] propanoate
CID 71174216
(1S)-1-[3-(cyclopropyloxymethyl)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethanol
CID 118033202
[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethyl] 4-aminobenzoate
CID 90192446
[1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethyl] 4-(cyclopropylmethoxy)-3-(hydroxymethyl)benzoate
CID 90205239
[1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethyl] pyrrolidine-2-carboxylate
CID 78006618
[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethyl] (2S)-3-chloro-1,3-thiazolidine-2-carboxylate
CID 118569631
[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethyl] (3-chlorophenyl)sulfanylformate
CID 89459863
[1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 59443762

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethoxy)-4-[2-(3,5-dichloro-4-pyridinyl)-1-hydroxyethyl]phenyl] hypofluorite?
The IUPAC name of [2-(cyclopropylmethoxy)-4-[2-(3,5-dichloro-4-pyridinyl)-1-hydroxyethyl]phenyl] hypofluorite (CID 70861939) is [2-(cyclopropylmethoxy)-4-[2-(3,5-dichloro-4-pyridinyl)-1-hydroxyethyl]phenyl] hypofluorite.
What is the SMILES notation for [2-(cyclopropylmethoxy)-4-[2-(3,5-dichloro-4-pyridinyl)-1-hydroxyethyl]phenyl] hypofluorite?
The canonical SMILES for [2-(cyclopropylmethoxy)-4-[2-(3,5-dichloro-4-pyridinyl)-1-hydroxyethyl]phenyl] hypofluorite is OC(Cc1c(Cl)cncc1Cl)c1ccc(OF)c(OCC2CC2)c1.
What is the InChIKey of [2-(cyclopropylmethoxy)-4-[2-(3,5-dichloro-4-pyridinyl)-1-hydroxyethyl]phenyl] hypofluorite?
The InChIKey is OBNACDRXLWBJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FNO3/c18-13-7-21-8-14(19)12(13)6-15(22)11-3-4-16(24-20)17(5-11)23-9-10-1-2-10/h3-5,7-8,10,15,22H,1-2,6,9H2.
What are the key properties of [2-(cyclopropylmethoxy)-4-[2-(3,5-dichloro-4-pyridinyl)-1-hydroxyethyl]phenyl] hypofluorite?
[2-(cyclopropylmethoxy)-4-[2-(3,5-dichloro-4-pyridinyl)-1-hydroxyethyl]phenyl] hypofluorite has a molecular weight of 372.22 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethoxy)-4-[2-(3,5-dichloro-4-pyridinyl)-1-hydroxyethyl]phenyl] hypofluorite is sourced from PubChem (CID 70861939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).