N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

C18H25F4NO3 — CID 176700789

IUPACN-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESC=C(F)/C=C(/OCCOCCNC(=O)C1(C(F)(F)F)CC1)C(=C)C(C)C
InChIInChI=1S/C18H25F4NO3/c1-12(2)14(4)15(11-13(3)19)26-10-9-25-8-7-23-16(24)17(5-6-17)18(20,21)22/h11-12H,3-10H2,1-2H3,(H,23,24)/b15-11+
InChIKeyUHXFVWKJLSPHTF-RVDMUPIBSA-N
MW379.39 g/mol
LogP4.06
Rot. Bonds11

About N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 176700789) has the molecular formula C18H25F4NO3 and a molecular weight of 379.39 g/mol. Its IUPAC name is N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID176700789
Molecular FormulaC18H25F4NO3
Molecular Weight379.39 g/mol
Exact Mass379.18
IUPAC NameN-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESC=C(F)/C=C(/OCCOCCNC(=O)C1(C(F)(F)F)CC1)C(=C)C(C)C
InChIInChI=1S/C18H25F4NO3/c1-12(2)14(4)15(11-13(3)19)26-10-9-25-8-7-23-16(24)17(5-6-17)18(20,21)22/h11-12H,3-10H2,1-2H3,(H,23,24)/b15-11+
InChIKeyUHXFVWKJLSPHTF-RVDMUPIBSA-N
XLogP4.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 176700789) is N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is C=C(F)/C=C(/OCCOCCNC(=O)C1(C(F)(F)F)CC1)C(=C)C(C)C.
What is the InChIKey of N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is UHXFVWKJLSPHTF-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H25F4NO3/c1-12(2)14(4)15(11-13(3)19)26-10-9-25-8-7-23-16(24)17(5-6-17)18(20,21)22/h11-12H,3-10H2,1-2H3,(H,23,24)/b15-11+.
What are the key properties of N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 4.06, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 176700789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).