1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(oxolan-2-ylmethyl)urea

C10H14F6N2O2 — CID 2968259

IUPAC1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(oxolan-2-ylmethyl)urea
SMILESCC(NC(=O)NCC1CCCO1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O2/c1-8(9(11,12)13,10(14,15)16)18-7(19)17-5-6-3-2-4-20-6/h6H,2-5H2,1H3,(H2,17,18,19)
InChIKeyUWVBXOGQGQRIMH-UHFFFAOYSA-N
MW308.22 g/mol
LogP2.35
Rot. Bonds3

About 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(oxolan-2-ylmethyl)urea

1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(oxolan-2-ylmethyl)urea (PubChem CID 2968259) has the molecular formula C10H14F6N2O2 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(oxolan-2-ylmethyl)urea
PubChem CID2968259
Molecular FormulaC10H14F6N2O2
Molecular Weight308.22 g/mol
Exact Mass308.10
IUPAC Name1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(oxolan-2-ylmethyl)urea
SMILESCC(NC(=O)NCC1CCCO1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O2/c1-8(9(11,12)13,10(14,15)16)18-7(19)17-5-6-3-2-4-20-6/h6H,2-5H2,1H3,(H2,17,18,19)
InChIKeyUWVBXOGQGQRIMH-UHFFFAOYSA-N
XLogP2.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(oxolan-2-ylmethyl)urea with MolForge

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Related Compounds

1-Cyclopropyl-1-(2,2-difluoroethyl)-3-(oxolan-2-ylmethyl)urea
CID 72021508
3-(2,2-Difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 86817987
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 935109
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 6546420
1-[1-(Oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 75887997
1-Ethyl-3-(3-fluoropropyl)-1-(oxolan-2-ylmethyl)urea
CID 86817999
1-cyclopropyl-1-(2,2-difluoroethyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 96476533
1-cyclopropyl-1-(2,2-difluoroethyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 96476534
3-(2,2-difluoroethyl)-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 99615590
3-(2,2-difluoroethyl)-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 99615592
1-ethyl-3-(3-fluoropropyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 99615634
1-ethyl-3-(3-fluoropropyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 99615636

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(oxolan-2-ylmethyl)urea (CID 2968259) is 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(oxolan-2-ylmethyl)urea is CC(NC(=O)NCC1CCCO1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(oxolan-2-ylmethyl)urea?
The InChIKey is UWVBXOGQGQRIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6N2O2/c1-8(9(11,12)13,10(14,15)16)18-7(19)17-5-6-3-2-4-20-6/h6H,2-5H2,1H3,(H2,17,18,19).
What are the key properties of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(oxolan-2-ylmethyl)urea?
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(oxolan-2-ylmethyl)urea has a molecular weight of 308.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 2968259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).