(1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone

C12H14FNO — CID 116598341

IUPAC(1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)C1(N)CCC1
InChIInChI=1S/C12H14FNO/c1-8-3-4-9(13)7-10(8)11(15)12(14)5-2-6-12/h3-4,7H,2,5-6,14H2,1H3
InChIKeyPDOQITDAFHQONM-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.20
Rot. Bonds2

About (1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone

(1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone (PubChem CID 116598341) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is (1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone
PubChem CID116598341
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name(1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)C1(N)CCC1
InChIInChI=1S/C12H14FNO/c1-8-3-4-9(13)7-10(8)11(15)12(14)5-2-6-12/h3-4,7H,2,5-6,14H2,1H3
InChIKeyPDOQITDAFHQONM-UHFFFAOYSA-N
XLogP2.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone
CID 116558686
(1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone
CID 116558695
(5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970598
(1-aminocyclobutyl)-(2-chloro-5-methylphenyl)methanone
CID 130631204
(1-aminocyclopentyl)-(3-fluorophenyl)methanone
CID 82283406
N'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide
CID 63182121
2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 116591399
(1-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone
CID 116579252
methyl 2-[(1-aminocyclobutanecarbonyl)amino]-5-fluorobenzoate
CID 81179732
(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one
CID 142023761
(4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone
CID 105095400
(1-aminocyclobutyl)-(3-methylphenyl)methanone
CID 116598453

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone?
The IUPAC name of (1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone (CID 116598341) is (1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone is Cc1ccc(F)cc1C(=O)C1(N)CCC1.
What is the InChIKey of (1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone?
The InChIKey is PDOQITDAFHQONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-8-3-4-9(13)7-10(8)11(15)12(14)5-2-6-12/h3-4,7H,2,5-6,14H2,1H3.
What are the key properties of (1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone?
(1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone has a molecular weight of 207.25 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 116598341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).