3-(2,2-difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea

C10H18F2N2O2 — CID 86817987

IUPAC3-(2,2-difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea
SMILESCCN(CC1CCCO1)C(=O)NCC(F)F
InChIInChI=1S/C10H18F2N2O2/c1-2-14(7-8-4-3-5-16-8)10(15)13-6-9(11)12/h8-9H,2-7H2,1H3,(H,13,15)
InChIKeySUQNMLBXCGLEFA-UHFFFAOYSA-N
MW236.26 g/mol
LogP1.46
Rot. Bonds5

About 3-(2,2-difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea

3-(2,2-difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea (PubChem CID 86817987) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea
PubChem CID86817987
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name3-(2,2-difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea
SMILESCCN(CC1CCCO1)C(=O)NCC(F)F
InChIInChI=1S/C10H18F2N2O2/c1-2-14(7-8-4-3-5-16-8)10(15)13-6-9(11)12/h8-9H,2-7H2,1H3,(H,13,15)
InChIKeySUQNMLBXCGLEFA-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(tetrahydro-2-furanylmethyl)-N'-[2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl]urea
CID 2968259
N-[(Oxolan-2-yl)methyl]morpholine-4-carboxamide
CID 3311551
(diethylamino)-N-(oxolan-2-ylmethyl)carboxamide
CID 2985186
1-(2-Hydroxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)-1-propan-2-ylurea
CID 71846056
1-Cyclopropyl-1-(2,2-difluoroethyl)-3-(oxolan-2-ylmethyl)urea
CID 72021508
N-{[(2R)-oxolan-2-yl]methyl}morpholine-4-carboxamide
CID 735630
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
N-(2-methoxyethyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 56793078
1-[3-[Methyl(2,2,2-trifluoroethyl)amino]propyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 60482197
3-[1-(2,2-Difluoroethyl)piperidin-4-yl]-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 72145137
1-[1-(Oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 75887997

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea?
The IUPAC name of 3-(2,2-difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea (CID 86817987) is 3-(2,2-difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 3-(2,2-difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 3-(2,2-difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea is CCN(CC1CCCO1)C(=O)NCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea?
The InChIKey is SUQNMLBXCGLEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-2-14(7-8-4-3-5-16-8)10(15)13-6-9(11)12/h8-9H,2-7H2,1H3,(H,13,15).
What are the key properties of 3-(2,2-difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea?
3-(2,2-difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea has a molecular weight of 236.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 86817987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).