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

C8H11FN2O2 — CID 130625809

IUPAC1-(3-fluoropropyl)-3-(furan-2-yl)urea
SMILESO=C(NCCCF)Nc1ccco1
InChIInChI=1S/C8H11FN2O2/c9-4-2-5-10-8(12)11-7-3-1-6-13-7/h1,3,6H,2,4-5H2,(H2,10,11,12)
InChIKeyMBPLQVFIDJOILA-UHFFFAOYSA-N
MW186.19 g/mol
LogP1.76
Rot. Bonds4

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

1-(3-fluoropropyl)-3-(furan-2-yl)urea (PubChem CID 130625809) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-(furan-2-yl)urea.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-(furan-2-yl)urea
PubChem CID130625809
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name1-(3-fluoropropyl)-3-(furan-2-yl)urea
SMILESO=C(NCCCF)Nc1ccco1
InChIInChI=1S/C8H11FN2O2/c9-4-2-5-10-8(12)11-7-3-1-6-13-7/h1,3,6H,2,4-5H2,(H2,10,11,12)
InChIKeyMBPLQVFIDJOILA-UHFFFAOYSA-N
XLogP1.76
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
2,2-Dimethylpropyl furan-2-ylcarbamate
CID 45693
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
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-(3-fluoropropyl)-3-(furan-2-yl)urea?
The IUPAC name of 1-(3-fluoropropyl)-3-(furan-2-yl)urea (CID 130625809) is 1-(3-fluoropropyl)-3-(furan-2-yl)urea.
What is the SMILES notation for 1-(3-fluoropropyl)-3-(furan-2-yl)urea?
The canonical SMILES for 1-(3-fluoropropyl)-3-(furan-2-yl)urea is O=C(NCCCF)Nc1ccco1.
What is the InChIKey of 1-(3-fluoropropyl)-3-(furan-2-yl)urea?
The InChIKey is MBPLQVFIDJOILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c9-4-2-5-10-8(12)11-7-3-1-6-13-7/h1,3,6H,2,4-5H2,(H2,10,11,12).
What are the key properties of 1-(3-fluoropropyl)-3-(furan-2-yl)urea?
1-(3-fluoropropyl)-3-(furan-2-yl)urea has a molecular weight of 186.19 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-(furan-2-yl)urea is sourced from PubChem (CID 130625809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).