3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea

C10H17F3N2O2 — CID 116655134

IUPAC3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea
SMILESCCCN(CC(F)(F)F)C(=O)NC1CCOC1
InChIInChI=1S/C10H17F3N2O2/c1-2-4-15(7-10(11,12)13)9(16)14-8-3-5-17-6-8/h8H,2-7H2,1H3,(H,14,16)
InChIKeyPOPGTMQUNOAXKK-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.76
Rot. Bonds4

About 3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea

3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea (PubChem CID 116655134) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea
PubChem CID116655134
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea
SMILESCCCN(CC(F)(F)F)C(=O)NC1CCOC1
InChIInChI=1S/C10H17F3N2O2/c1-2-4-15(7-10(11,12)13)9(16)14-8-3-5-17-6-8/h8H,2-7H2,1H3,(H,14,16)
InChIKeyPOPGTMQUNOAXKK-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dimethyl-1-(oxolan-3-yl)urea
CID 115616984
1-(2-Methoxyethyl)-4-(trifluoromethyl)imidazolidin-2-one
CID 20511509
ethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide
CID 164555235
N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide
CID 164555236
1-[1-(2,2,2-Trifluoroethoxy)propan-2-yl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 56209602
1-(1-Methoxypropan-2-yl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 60463832
1-(2-Methoxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 60605131
3-(Oxolan-3-yl)-1-piperidin-4-yl-1-(2,2,2-trifluoroethyl)urea
CID 80260612
1-(3-Methoxypropyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 86992730
1-(1-Methoxypropan-2-yl)-3-[3-(2,2,2-trifluoroethoxy)propyl]urea
CID 86992988
1-(2-Ethoxyethyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]urea
CID 87003640
1-(Oxan-4-yl)-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea
CID 90554858

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea (CID 116655134) is 3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea is CCCN(CC(F)(F)F)C(=O)NC1CCOC1.
What is the InChIKey of 3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea?
The InChIKey is POPGTMQUNOAXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-2-4-15(7-10(11,12)13)9(16)14-8-3-5-17-6-8/h8H,2-7H2,1H3,(H,14,16).
What are the key properties of 3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea?
3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea has a molecular weight of 254.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 116655134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).