1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-methyloxolan-3-yl)urea

C16H21FN2O2 — CID 84595883

IUPAC1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-methyloxolan-3-yl)urea
SMILESCC1(NC(=O)NC2CCCc3ccc(F)cc32)CCOC1
InChIInChI=1S/C16H21FN2O2/c1-16(7-8-21-10-16)19-15(20)18-14-4-2-3-11-5-6-12(17)9-13(11)14/h5-6,9,14H,2-4,7-8,10H2,1H3,(H2,18,19,20)
InChIKeyWXAUUBIQHQOIBU-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.68
Rot. Bonds2

About 1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-methyloxolan-3-yl)urea

1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-methyloxolan-3-yl)urea (PubChem CID 84595883) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-methyloxolan-3-yl)urea.

Molecular Properties

Compound Name1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-methyloxolan-3-yl)urea
PubChem CID84595883
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-methyloxolan-3-yl)urea
SMILESCC1(NC(=O)NC2CCCc3ccc(F)cc32)CCOC1
InChIInChI=1S/C16H21FN2O2/c1-16(7-8-21-10-16)19-15(20)18-14-4-2-3-11-5-6-12(17)9-13(11)14/h5-6,9,14H,2-4,7-8,10H2,1H3,(H2,18,19,20)
InChIKeyWXAUUBIQHQOIBU-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-methyloxolan-3-yl)urea?
The IUPAC name of 1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-methyloxolan-3-yl)urea (CID 84595883) is 1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-methyloxolan-3-yl)urea.
What is the SMILES notation for 1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-methyloxolan-3-yl)urea?
The canonical SMILES for 1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-methyloxolan-3-yl)urea is CC1(NC(=O)NC2CCCc3ccc(F)cc32)CCOC1.
What is the InChIKey of 1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-methyloxolan-3-yl)urea?
The InChIKey is WXAUUBIQHQOIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-16(7-8-21-10-16)19-15(20)18-14-4-2-3-11-5-6-12(17)9-13(11)14/h5-6,9,14H,2-4,7-8,10H2,1H3,(H2,18,19,20).
What are the key properties of 1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-methyloxolan-3-yl)urea?
1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-methyloxolan-3-yl)urea has a molecular weight of 292.35 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-methyloxolan-3-yl)urea is sourced from PubChem (CID 84595883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).