1-ethyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea

C14H19FN2O2 — CID 11369133

IUPAC1-ethyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
SMILESCCNC(=O)NC1CC(C)(C)Oc2ccc(F)cc21
InChIInChI=1S/C14H19FN2O2/c1-4-16-13(18)17-11-8-14(2,3)19-12-6-5-9(15)7-10(11)12/h5-7,11H,4,8H2,1-3H3,(H2,16,17,18)
InChIKeyBSRZQYNIJIXFJR-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.75
Rot. Bonds2

About 1-ethyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea

1-ethyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea (PubChem CID 11369133) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-ethyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
PubChem CID11369133
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-ethyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
SMILESCCNC(=O)NC1CC(C)(C)Oc2ccc(F)cc21
InChIInChI=1S/C14H19FN2O2/c1-4-16-13(18)17-11-8-14(2,3)19-12-6-5-9(15)7-10(11)12/h5-7,11H,4,8H2,1-3H3,(H2,16,17,18)
InChIKeyBSRZQYNIJIXFJR-UHFFFAOYSA-N
XLogP2.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea?
The IUPAC name of 1-ethyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea (CID 11369133) is 1-ethyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea.
What is the SMILES notation for 1-ethyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea?
The canonical SMILES for 1-ethyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea is CCNC(=O)NC1CC(C)(C)Oc2ccc(F)cc21.
What is the InChIKey of 1-ethyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea?
The InChIKey is BSRZQYNIJIXFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-4-16-13(18)17-11-8-14(2,3)19-12-6-5-9(15)7-10(11)12/h5-7,11H,4,8H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-ethyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea?
1-ethyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea has a molecular weight of 266.32 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea is sourced from PubChem (CID 11369133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).