1-ethyl-3-(1-fluoropropan-2-yl)urea

C6H13FN2O — CID 126991916

IUPAC1-ethyl-3-(1-fluoropropan-2-yl)urea
SMILESCCNC(=O)NC(C)CF
InChIInChI=1S/C6H13FN2O/c1-3-8-6(10)9-5(2)4-7/h5H,3-4H2,1-2H3,(H2,8,9,10)
InChIKeyUKWMKUXWQICXPT-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.66
Rot. Bonds3

About 1-ethyl-3-(1-fluoropropan-2-yl)urea

1-ethyl-3-(1-fluoropropan-2-yl)urea (PubChem CID 126991916) has the molecular formula C6H13FN2O and a molecular weight of 148.18 g/mol. Its IUPAC name is 1-ethyl-3-(1-fluoropropan-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(1-fluoropropan-2-yl)urea
PubChem CID126991916
Molecular FormulaC6H13FN2O
Molecular Weight148.18 g/mol
Exact Mass148.10
IUPAC Name1-ethyl-3-(1-fluoropropan-2-yl)urea
SMILESCCNC(=O)NC(C)CF
InChIInChI=1S/C6H13FN2O/c1-3-8-6(10)9-5(2)4-7/h5H,3-4H2,1-2H3,(H2,8,9,10)
InChIKeyUKWMKUXWQICXPT-UHFFFAOYSA-N
XLogP0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea
CID 158499294
1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea
CID 94702761
ethane;1-ethyl-3-propan-2-ylurea
CID 156793066
1-ethyl-3-octan-2-ylurea
CID 56827686
1-ethyl-3-[(2S)-octan-2-yl]urea
CID 94866604
1-ethyl-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]urea
CID 97028932
1-(dihydroxymethyl)-3-ethylurea
CID 141116762
1-ethoxy-3-[(2S)-1-fluoropropan-2-yl]urea
CID 131206706
1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590502
2-(ethylcarbamoylamino)propanamide
CID 115582785
methyl 2-(ethylcarbamoylamino)propanoate
CID 60980356
1,3-diethylurea;ethane
CID 142885504

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-fluoropropan-2-yl)urea?
The IUPAC name of 1-ethyl-3-(1-fluoropropan-2-yl)urea (CID 126991916) is 1-ethyl-3-(1-fluoropropan-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(1-fluoropropan-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(1-fluoropropan-2-yl)urea is CCNC(=O)NC(C)CF.
What is the InChIKey of 1-ethyl-3-(1-fluoropropan-2-yl)urea?
The InChIKey is UKWMKUXWQICXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2O/c1-3-8-6(10)9-5(2)4-7/h5H,3-4H2,1-2H3,(H2,8,9,10).
What are the key properties of 1-ethyl-3-(1-fluoropropan-2-yl)urea?
1-ethyl-3-(1-fluoropropan-2-yl)urea has a molecular weight of 148.18 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-fluoropropan-2-yl)urea is sourced from PubChem (CID 126991916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).