methanol;1-[[3-(trifluoromethyl)phenyl]methyl]-3-(5,5,5-trifluoropent-1-en-2-yl)urea

C15H18F6N2O2 — CID 169150562

IUPACmethanol;1-[[3-(trifluoromethyl)phenyl]methyl]-3-(5,5,5-trifluoropent-1-en-2-yl)urea
SMILESC=C(CCC(F)(F)F)NC(=O)NCc1cccc(C(F)(F)F)c1.CO
InChIInChI=1S/C14H14F6N2O.CH4O/c1-9(5-6-13(15,16)17)22-12(23)21-8-10-3-2-4-11(7-10)14(18,19)20;1-2/h2-4,7H,1,5-6,8H2,(H2,21,22,23);2H,1H3
InChIKeyZZGPGYOGCRURHA-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.97
Rot. Bonds5

About methanol;1-[[3-(trifluoromethyl)phenyl]methyl]-3-(5,5,5-trifluoropent-1-en-2-yl)urea

methanol;1-[[3-(trifluoromethyl)phenyl]methyl]-3-(5,5,5-trifluoropent-1-en-2-yl)urea (PubChem CID 169150562) has the molecular formula C15H18F6N2O2 and a molecular weight of 372.31 g/mol. Its IUPAC name is methanol;1-[[3-(trifluoromethyl)phenyl]methyl]-3-(5,5,5-trifluoropent-1-en-2-yl)urea.

Molecular Properties

Compound Namemethanol;1-[[3-(trifluoromethyl)phenyl]methyl]-3-(5,5,5-trifluoropent-1-en-2-yl)urea
PubChem CID169150562
Molecular FormulaC15H18F6N2O2
Molecular Weight372.31 g/mol
Exact Mass372.13
IUPAC Namemethanol;1-[[3-(trifluoromethyl)phenyl]methyl]-3-(5,5,5-trifluoropent-1-en-2-yl)urea
SMILESC=C(CCC(F)(F)F)NC(=O)NCc1cccc(C(F)(F)F)c1.CO
InChIInChI=1S/C14H14F6N2O.CH4O/c1-9(5-6-13(15,16)17)22-12(23)21-8-10-3-2-4-11(7-10)14(18,19)20;1-2/h2-4,7H,1,5-6,8H2,(H2,21,22,23);2H,1H3
InChIKeyZZGPGYOGCRURHA-UHFFFAOYSA-N
XLogP3.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methanol;1-[[3-(trifluoromethyl)phenyl]methyl]-3-(5,5,5-trifluoropent-1-en-2-yl)urea?
The IUPAC name of methanol;1-[[3-(trifluoromethyl)phenyl]methyl]-3-(5,5,5-trifluoropent-1-en-2-yl)urea (CID 169150562) is methanol;1-[[3-(trifluoromethyl)phenyl]methyl]-3-(5,5,5-trifluoropent-1-en-2-yl)urea.
What is the SMILES notation for methanol;1-[[3-(trifluoromethyl)phenyl]methyl]-3-(5,5,5-trifluoropent-1-en-2-yl)urea?
The canonical SMILES for methanol;1-[[3-(trifluoromethyl)phenyl]methyl]-3-(5,5,5-trifluoropent-1-en-2-yl)urea is C=C(CCC(F)(F)F)NC(=O)NCc1cccc(C(F)(F)F)c1.CO.
What is the InChIKey of methanol;1-[[3-(trifluoromethyl)phenyl]methyl]-3-(5,5,5-trifluoropent-1-en-2-yl)urea?
The InChIKey is ZZGPGYOGCRURHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F6N2O.CH4O/c1-9(5-6-13(15,16)17)22-12(23)21-8-10-3-2-4-11(7-10)14(18,19)20;1-2/h2-4,7H,1,5-6,8H2,(H2,21,22,23);2H,1H3.
What are the key properties of methanol;1-[[3-(trifluoromethyl)phenyl]methyl]-3-(5,5,5-trifluoropent-1-en-2-yl)urea?
methanol;1-[[3-(trifluoromethyl)phenyl]methyl]-3-(5,5,5-trifluoropent-1-en-2-yl)urea has a molecular weight of 372.31 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1-[[3-(trifluoromethyl)phenyl]methyl]-3-(5,5,5-trifluoropent-1-en-2-yl)urea is sourced from PubChem (CID 169150562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).