1-(2-fluoroethyl)-3-(furan-2-yl)urea

C7H9FN2O2 — CID 131084030

IUPAC1-(2-fluoroethyl)-3-(furan-2-yl)urea
SMILESO=C(NCCF)Nc1ccco1
InChIInChI=1S/C7H9FN2O2/c8-3-4-9-7(11)10-6-2-1-5-12-6/h1-2,5H,3-4H2,(H2,9,10,11)
InChIKeyQKSYWHDYDBEAHO-UHFFFAOYSA-N
MW172.16 g/mol
LogP1.37
Rot. Bonds3

About 1-(2-fluoroethyl)-3-(furan-2-yl)urea

1-(2-fluoroethyl)-3-(furan-2-yl)urea (PubChem CID 131084030) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(furan-2-yl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(furan-2-yl)urea
PubChem CID131084030
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name1-(2-fluoroethyl)-3-(furan-2-yl)urea
SMILESO=C(NCCF)Nc1ccco1
InChIInChI=1S/C7H9FN2O2/c8-3-4-9-7(11)10-6-2-1-5-12-6/h1-2,5H,3-4H2,(H2,9,10,11)
InChIKeyQKSYWHDYDBEAHO-UHFFFAOYSA-N
XLogP1.37
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Furancarbamic acid, ethyl ester
CID 41232
2-Furancarbamic acid, propyl ester
CID 45694
(2-Furanyl)-5-fluorouracil
CID 324191
1-(Furan-2-ylamino) ethanol
CID 76312178
N-(furan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 137657036
5-Fluoro-1-(furan-2-yl)pyrimidine-2,4(1H,3H)-dione
CID 53777786
5-Fluoro-1,3-bis(furan-2-yl)pyrimidine-2,4-dione
CID 324192
2-cyano-N-(furan-2-yl)acetamide
CID 2369438
N-(furan-2-yl)acetamide
CID 819115
N-(furan-2-yl)propanamide
CID 10486917
2-Methylamino-furan
CID 12151528
Ureidofurane
CID 54097684

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(furan-2-yl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(furan-2-yl)urea (CID 131084030) is 1-(2-fluoroethyl)-3-(furan-2-yl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(furan-2-yl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(furan-2-yl)urea is O=C(NCCF)Nc1ccco1.
What is the InChIKey of 1-(2-fluoroethyl)-3-(furan-2-yl)urea?
The InChIKey is QKSYWHDYDBEAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c8-3-4-9-7(11)10-6-2-1-5-12-6/h1-2,5H,3-4H2,(H2,9,10,11).
What are the key properties of 1-(2-fluoroethyl)-3-(furan-2-yl)urea?
1-(2-fluoroethyl)-3-(furan-2-yl)urea has a molecular weight of 172.16 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(furan-2-yl)urea is sourced from PubChem (CID 131084030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).