1-[(2S)-1-fluoropropan-2-yl]-3-(furan-2-yl)urea

C8H11FN2O2 — CID 130639944

IUPAC1-[(2S)-1-fluoropropan-2-yl]-3-(furan-2-yl)urea
SMILESC[C@@H](CF)NC(=O)Nc1ccco1
InChIInChI=1S/C8H11FN2O2/c1-6(5-9)10-8(12)11-7-3-2-4-13-7/h2-4,6H,5H2,1H3,(H2,10,11,12)/t6-/m0/s1
InChIKeyUSCKDEONEFUMMZ-LURJTMIESA-N
MW186.19 g/mol
LogP1.76
Rot. Bonds3

About 1-[(2S)-1-fluoropropan-2-yl]-3-(furan-2-yl)urea

1-[(2S)-1-fluoropropan-2-yl]-3-(furan-2-yl)urea (PubChem CID 130639944) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 1-[(2S)-1-fluoropropan-2-yl]-3-(furan-2-yl)urea.

Molecular Properties

Compound Name1-[(2S)-1-fluoropropan-2-yl]-3-(furan-2-yl)urea
PubChem CID130639944
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name1-[(2S)-1-fluoropropan-2-yl]-3-(furan-2-yl)urea
SMILESC[C@@H](CF)NC(=O)Nc1ccco1
InChIInChI=1S/C8H11FN2O2/c1-6(5-9)10-8(12)11-7-3-2-4-13-7/h2-4,6H,5H2,1H3,(H2,10,11,12)/t6-/m0/s1
InChIKeyUSCKDEONEFUMMZ-LURJTMIESA-N
XLogP1.76
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

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CID 41232
2-Furancarbamic acid, propyl ester
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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)propanamide
CID 10486917
2-Methylamino-furan
CID 12151528
Ureidofurane
CID 54097684
Allylfurylamine
CID 67975741
Furanyluracil
CID 70364377

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-fluoropropan-2-yl]-3-(furan-2-yl)urea?
The IUPAC name of 1-[(2S)-1-fluoropropan-2-yl]-3-(furan-2-yl)urea (CID 130639944) is 1-[(2S)-1-fluoropropan-2-yl]-3-(furan-2-yl)urea.
What is the SMILES notation for 1-[(2S)-1-fluoropropan-2-yl]-3-(furan-2-yl)urea?
The canonical SMILES for 1-[(2S)-1-fluoropropan-2-yl]-3-(furan-2-yl)urea is C[C@@H](CF)NC(=O)Nc1ccco1.
What is the InChIKey of 1-[(2S)-1-fluoropropan-2-yl]-3-(furan-2-yl)urea?
The InChIKey is USCKDEONEFUMMZ-LURJTMIESA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-6(5-9)10-8(12)11-7-3-2-4-13-7/h2-4,6H,5H2,1H3,(H2,10,11,12)/t6-/m0/s1.
What are the key properties of 1-[(2S)-1-fluoropropan-2-yl]-3-(furan-2-yl)urea?
1-[(2S)-1-fluoropropan-2-yl]-3-(furan-2-yl)urea has a molecular weight of 186.19 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-fluoropropan-2-yl]-3-(furan-2-yl)urea is sourced from PubChem (CID 130639944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).