3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide;ethane

C20H30F3NO3 — CID 176701242

IUPAC3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide;ethane
SMILESCC.CC(C)c1ccc(F)cc1OCCOCCNC(=O)C1CC(F)(F)C1
InChIInChI=1S/C18H24F3NO3.C2H6/c1-12(2)15-4-3-14(19)9-16(15)25-8-7-24-6-5-22-17(23)13-10-18(20,21)11-13;1-2/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,22,23);1-2H3
InChIKeyISIZFACLOANSQP-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.53
Rot. Bonds9

About 3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide;ethane

3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide;ethane (PubChem CID 176701242) has the molecular formula C20H30F3NO3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide;ethane.

Molecular Properties

Compound Name3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide;ethane
PubChem CID176701242
Molecular FormulaC20H30F3NO3
Molecular Weight389.46 g/mol
Exact Mass389.22
IUPAC Name3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide;ethane
SMILESCC.CC(C)c1ccc(F)cc1OCCOCCNC(=O)C1CC(F)(F)C1
InChIInChI=1S/C18H24F3NO3.C2H6/c1-12(2)15-4-3-14(19)9-16(15)25-8-7-24-6-5-22-17(23)13-10-18(20,21)11-13;1-2/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,22,23);1-2H3
InChIKeyISIZFACLOANSQP-UHFFFAOYSA-N
XLogP4.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide
CID 176700307
N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-3,3-dimethylcyclobutane-1-carboxamide
CID 176701362
tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane
CID 176700845
1-(2-chloroacetyl)-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine-3-carboxamide
CID 176701492
(4,4-difluoro-1-prop-2-enoylpyrrolidin-3-yl) N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;molecular hydrogen
CID 176700782
4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene
CID 167302497
(1-prop-2-enoylpyrrolidin-2-yl)methyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate
CID 176700276
tert-butyl N-[2-[2-(3,5-difluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-N-methylcarbamate;ethane
CID 176701510
N-[3-[(5-fluoro-2-propan-2-ylphenoxy)methyl]cyclobutyl]cyclohexanecarboxamide
CID 176700331
ethane;2-[2-[2-(5-fluoro-2-methylphenoxy)ethoxy]ethyl]-2-azaspiro[4.5]decan-1-one;6-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-6-azaspiro[3.4]octan-5-one
CID 176700889
1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104560887
1-[4-fluoro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol
CID 63067681

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide;ethane?
The IUPAC name of 3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide;ethane (CID 176701242) is 3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide;ethane.
What is the SMILES notation for 3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide;ethane?
The canonical SMILES for 3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide;ethane is CC.CC(C)c1ccc(F)cc1OCCOCCNC(=O)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide;ethane?
The InChIKey is ISIZFACLOANSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO3.C2H6/c1-12(2)15-4-3-14(19)9-16(15)25-8-7-24-6-5-22-17(23)13-10-18(20,21)11-13;1-2/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,22,23);1-2H3.
What are the key properties of 3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide;ethane?
3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide;ethane has a molecular weight of 389.46 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide;ethane is sourced from PubChem (CID 176701242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).