1-(2,4,5-trifluorophenyl)cyclobutane-1-carboxamide

C11H10F3NO — CID 129032674

IUPAC1-(2,4,5-trifluorophenyl)cyclobutane-1-carboxamide
SMILESNC(=O)C1(c2cc(F)c(F)cc2F)CCC1
InChIInChI=1S/C11H10F3NO/c12-7-5-9(14)8(13)4-6(7)11(10(15)16)2-1-3-11/h4-5H,1-3H2,(H2,15,16)
InChIKeyIMANQBKFTUDFIR-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.01
Rot. Bonds2

About 1-(2,4,5-trifluorophenyl)cyclobutane-1-carboxamide

1-(2,4,5-trifluorophenyl)cyclobutane-1-carboxamide (PubChem CID 129032674) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 1-(2,4,5-trifluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(2,4,5-trifluorophenyl)cyclobutane-1-carboxamide
PubChem CID129032674
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name1-(2,4,5-trifluorophenyl)cyclobutane-1-carboxamide
SMILESNC(=O)C1(c2cc(F)c(F)cc2F)CCC1
InChIInChI=1S/C11H10F3NO/c12-7-5-9(14)8(13)4-6(7)11(10(15)16)2-1-3-11/h4-5H,1-3H2,(H2,15,16)
InChIKeyIMANQBKFTUDFIR-UHFFFAOYSA-N
XLogP2.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-difluoro-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117357150
1-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 141281979
1-(4-chloro-2,5-difluorophenyl)cyclohexane-1-carboxylic acid
CID 117439170
5-(1-carboxycyclobutyl)-4-fluoro-2-methylbenzoic acid
CID 117383281
1-(3-chloro-2-fluorophenyl)cyclobutan-1-amine;1-(3-chloro-2-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride
CID 158493819
1-(4,5-difluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117388740
1-(4-chloro-2-fluorophenyl)cyclobutane-1-carboxylic acid
CID 83412485
1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
CID 89184004
1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117304967
1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117348898
2-[1-(3,4-difluorophenyl)cyclobutyl]acetamide
CID 121344994
1-(6-fluoro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid
CID 117339986

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trifluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(2,4,5-trifluorophenyl)cyclobutane-1-carboxamide (CID 129032674) is 1-(2,4,5-trifluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(2,4,5-trifluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(2,4,5-trifluorophenyl)cyclobutane-1-carboxamide is NC(=O)C1(c2cc(F)c(F)cc2F)CCC1.
What is the InChIKey of 1-(2,4,5-trifluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is IMANQBKFTUDFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-7-5-9(14)8(13)4-6(7)11(10(15)16)2-1-3-11/h4-5H,1-3H2,(H2,15,16).
What are the key properties of 1-(2,4,5-trifluorophenyl)cyclobutane-1-carboxamide?
1-(2,4,5-trifluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 229.20 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trifluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 129032674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).