1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone

C12H14FNO — CID 116598390

IUPAC1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone
SMILESNC1(C(=O)Cc2ccc(F)cc2)CCC1
InChIInChI=1S/C12H14FNO/c13-10-4-2-9(3-5-10)8-11(15)12(14)6-1-7-12/h2-5H,1,6-8,14H2
InChIKeyXYCWJSFQZQIISF-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.82
Rot. Bonds3

About 1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone

1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone (PubChem CID 116598390) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone
PubChem CID116598390
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone
SMILESNC1(C(=O)Cc2ccc(F)cc2)CCC1
InChIInChI=1S/C12H14FNO/c13-10-4-2-9(3-5-10)8-11(15)12(14)6-1-7-12/h2-5H,1,6-8,14H2
InChIKeyXYCWJSFQZQIISF-UHFFFAOYSA-N
XLogP1.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminocyclobutyl)-2-(4-methylphenyl)ethanone
CID 116598490
1-(1-aminocyclobutyl)-2-(2,4-difluorophenyl)ethanone
CID 116598534
1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116558669
1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone
CID 116601171
2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706780
2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 116750408
1-(1-aminocyclobutyl)-2-(3-methylphenyl)ethanone
CID 116598493
1-(1-aminocyclobutyl)-2-(4-bromo-2-fluorophenyl)ethanone
CID 116598573
1-amino-N-[(4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119268138
1-(1-aminocyclopropyl)-2-(2-bromo-4-fluorophenyl)ethanone
CID 116576510
1-[(4-fluorophenyl)methyl]cyclobutan-1-amine;hydrochloride
CID 86277096
1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 119297970

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone (CID 116598390) is 1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone is NC1(C(=O)Cc2ccc(F)cc2)CCC1.
What is the InChIKey of 1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone?
The InChIKey is XYCWJSFQZQIISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c13-10-4-2-9(3-5-10)8-11(15)12(14)6-1-7-12/h2-5H,1,6-8,14H2.
What are the key properties of 1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone?
1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone has a molecular weight of 207.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 116598390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).