1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea

C7H10F6N2O2 — CID 113223589

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCCOCC(F)(F)F)NCC(F)(F)F
InChIInChI=1S/C7H10F6N2O2/c8-6(9,10)3-15-5(16)14-1-2-17-4-7(11,12)13/h1-4H2,(H2,14,15,16)
InChIKeySDANCDCSLJBLTI-UHFFFAOYSA-N
MW268.16 g/mol
LogP1.43
Rot. Bonds5

About 1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea

1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 113223589) has the molecular formula C7H10F6N2O2 and a molecular weight of 268.16 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID113223589
Molecular FormulaC7H10F6N2O2
Molecular Weight268.16 g/mol
Exact Mass268.06
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCCOCC(F)(F)F)NCC(F)(F)F
InChIInChI=1S/C7H10F6N2O2/c8-6(9,10)3-15-5(16)14-1-2-17-4-7(11,12)13/h1-4H2,(H2,14,15,16)
InChIKeySDANCDCSLJBLTI-UHFFFAOYSA-N
XLogP1.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid
CID 61492672
3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]propanoic acid
CID 63834599
2-[2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetamide
CID 103816384
1-[2-(2-methylpropoxy)ethyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 87034535
1-(3-propoxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 116657251
2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]propanoic acid
CID 63834426
1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 86831252
1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea
CID 115662977
2-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 104686692
1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 78878567
4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 82014762
(2S)-3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]butanoic acid
CID 63833892

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea (CID 113223589) is 1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCCOCC(F)(F)F)NCC(F)(F)F.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is SDANCDCSLJBLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6N2O2/c8-6(9,10)3-15-5(16)14-1-2-17-4-7(11,12)13/h1-4H2,(H2,14,15,16).
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea?
1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 268.16 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 113223589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).