(1-fluoro-2-methylpropan-2-yl)urea

C5H11FN2O — CID 130684890

IUPAC(1-fluoro-2-methylpropan-2-yl)urea
SMILESCC(C)(CF)NC(N)=O
InChIInChI=1S/C5H11FN2O/c1-5(2,3-6)8-4(7)9/h3H2,1-2H3,(H3,7,8,9)
InChIKeyPQPRNWWMPDLRIP-UHFFFAOYSA-N
MW134.15 g/mol
LogP0.40
Rot. Bonds2

About (1-fluoro-2-methylpropan-2-yl)urea

(1-fluoro-2-methylpropan-2-yl)urea (PubChem CID 130684890) has the molecular formula C5H11FN2O and a molecular weight of 134.15 g/mol. Its IUPAC name is (1-fluoro-2-methylpropan-2-yl)urea.

Molecular Properties

Compound Name(1-fluoro-2-methylpropan-2-yl)urea
PubChem CID130684890
Molecular FormulaC5H11FN2O
Molecular Weight134.15 g/mol
Exact Mass134.09
IUPAC Name(1-fluoro-2-methylpropan-2-yl)urea
SMILESCC(C)(CF)NC(N)=O
InChIInChI=1S/C5H11FN2O/c1-5(2,3-6)8-4(7)9/h3H2,1-2H3,(H3,7,8,9)
InChIKeyPQPRNWWMPDLRIP-UHFFFAOYSA-N
XLogP0.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-dihydroxyethylurea
CID 54031376
2-sulfanylpropan-2-ylurea
CID 174193064
(2R)-2-(carbamoylamino)-2-fluoropropanoic acid
CID 102601187
2-amino-3-fluoro-2-methylpropanoic acid
CID 10898956
(4-ethenoxy-2-methylpentan-2-yl)urea
CID 154135773
[1-(carbamoylamino)-2-hydroxypropan-2-yl]urea
CID 87226252
(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea
CID 61121623
(2-methyl-5-triethoxysilylpentan-2-yl)urea
CID 87282445
4-amino-5-fluoro-4-methylpentan-2-one
CID 155006438
2,2-difluoropropylurea
CID 123994656
[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea
CID 75505421
3-(aminomethyl)pentan-3-ylurea
CID 63766558

Frequently Asked Questions

What is the IUPAC name of (1-fluoro-2-methylpropan-2-yl)urea?
The IUPAC name of (1-fluoro-2-methylpropan-2-yl)urea (CID 130684890) is (1-fluoro-2-methylpropan-2-yl)urea.
What is the SMILES notation for (1-fluoro-2-methylpropan-2-yl)urea?
The canonical SMILES for (1-fluoro-2-methylpropan-2-yl)urea is CC(C)(CF)NC(N)=O.
What is the InChIKey of (1-fluoro-2-methylpropan-2-yl)urea?
The InChIKey is PQPRNWWMPDLRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2O/c1-5(2,3-6)8-4(7)9/h3H2,1-2H3,(H3,7,8,9).
What are the key properties of (1-fluoro-2-methylpropan-2-yl)urea?
(1-fluoro-2-methylpropan-2-yl)urea has a molecular weight of 134.15 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-2-methylpropan-2-yl)urea is sourced from PubChem (CID 130684890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).