4-(chloromethyl)-2-(6-fluoro-4a,5-dihydronaphthalen-2-yl)-1,3-oxazole

C14H11ClFNO — CID 123823650

IUPAC4-(chloromethyl)-2-(6-fluoro-4a,5-dihydronaphthalen-2-yl)-1,3-oxazole
SMILESFC1=CC=C2C=C(c3nc(CCl)co3)C=CC2C1
InChIInChI=1S/C14H11ClFNO/c15-7-13-8-18-14(17-13)11-2-1-10-6-12(16)4-3-9(10)5-11/h1-5,8,10H,6-7H2
InChIKeyWPZMRIIECNTPRF-UHFFFAOYSA-N
MW263.70 g/mol
LogP4.17
Rot. Bonds2

About 4-(chloromethyl)-2-(6-fluoro-4a,5-dihydronaphthalen-2-yl)-1,3-oxazole

4-(chloromethyl)-2-(6-fluoro-4a,5-dihydronaphthalen-2-yl)-1,3-oxazole (PubChem CID 123823650) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(6-fluoro-4a,5-dihydronaphthalen-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(6-fluoro-4a,5-dihydronaphthalen-2-yl)-1,3-oxazole
PubChem CID123823650
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name4-(chloromethyl)-2-(6-fluoro-4a,5-dihydronaphthalen-2-yl)-1,3-oxazole
SMILESFC1=CC=C2C=C(c3nc(CCl)co3)C=CC2C1
InChIInChI=1S/C14H11ClFNO/c15-7-13-8-18-14(17-13)11-2-1-10-6-12(16)4-3-9(10)5-11/h1-5,8,10H,6-7H2
InChIKeyWPZMRIIECNTPRF-UHFFFAOYSA-N
XLogP4.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(6-fluoro-4a,5-dihydronaphthalen-2-yl)-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-2-(6-fluoro-4a,5-dihydronaphthalen-2-yl)-1,3-oxazole (CID 123823650) is 4-(chloromethyl)-2-(6-fluoro-4a,5-dihydronaphthalen-2-yl)-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-2-(6-fluoro-4a,5-dihydronaphthalen-2-yl)-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-2-(6-fluoro-4a,5-dihydronaphthalen-2-yl)-1,3-oxazole is FC1=CC=C2C=C(c3nc(CCl)co3)C=CC2C1.
What is the InChIKey of 4-(chloromethyl)-2-(6-fluoro-4a,5-dihydronaphthalen-2-yl)-1,3-oxazole?
The InChIKey is WPZMRIIECNTPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c15-7-13-8-18-14(17-13)11-2-1-10-6-12(16)4-3-9(10)5-11/h1-5,8,10H,6-7H2.
What are the key properties of 4-(chloromethyl)-2-(6-fluoro-4a,5-dihydronaphthalen-2-yl)-1,3-oxazole?
4-(chloromethyl)-2-(6-fluoro-4a,5-dihydronaphthalen-2-yl)-1,3-oxazole has a molecular weight of 263.70 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(6-fluoro-4a,5-dihydronaphthalen-2-yl)-1,3-oxazole is sourced from PubChem (CID 123823650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).