(4-amino-3-fluorophenyl)-(1-ethylcyclopropyl)methanone

C12H14FNO — CID 130553884

IUPAC(4-amino-3-fluorophenyl)-(1-ethylcyclopropyl)methanone
SMILESCCC1(C(=O)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C12H14FNO/c1-2-12(5-6-12)11(15)8-3-4-10(14)9(13)7-8/h3-4,7H,2,5-6,14H2,1H3
InChIKeyHISBIRDLVKDNKL-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.78
Rot. Bonds3

About (4-amino-3-fluorophenyl)-(1-ethylcyclopropyl)methanone

(4-amino-3-fluorophenyl)-(1-ethylcyclopropyl)methanone (PubChem CID 130553884) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is (4-amino-3-fluorophenyl)-(1-ethylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-amino-3-fluorophenyl)-(1-ethylcyclopropyl)methanone
PubChem CID130553884
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name(4-amino-3-fluorophenyl)-(1-ethylcyclopropyl)methanone
SMILESCCC1(C(=O)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C12H14FNO/c1-2-12(5-6-12)11(15)8-3-4-10(14)9(13)7-8/h3-4,7H,2,5-6,14H2,1H3
InChIKeyHISBIRDLVKDNKL-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829172
1-(4-amino-3-fluorobenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63188937
N-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide
CID 164882968
4-amino-3-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65118030
4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 114113741
[1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone
CID 116602023
2-methoxyethyl 4-amino-3-fluorobenzoate
CID 62681168
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide
CID 65117358
4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide
CID 63956728
4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357758
1-(4-amino-3-fluorophenyl)-4-ethylsulfonylbutan-1-one
CID 116547249
1-(4-amino-3-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 116547328

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-fluorophenyl)-(1-ethylcyclopropyl)methanone?
The IUPAC name of (4-amino-3-fluorophenyl)-(1-ethylcyclopropyl)methanone (CID 130553884) is (4-amino-3-fluorophenyl)-(1-ethylcyclopropyl)methanone.
What is the SMILES notation for (4-amino-3-fluorophenyl)-(1-ethylcyclopropyl)methanone?
The canonical SMILES for (4-amino-3-fluorophenyl)-(1-ethylcyclopropyl)methanone is CCC1(C(=O)c2ccc(N)c(F)c2)CC1.
What is the InChIKey of (4-amino-3-fluorophenyl)-(1-ethylcyclopropyl)methanone?
The InChIKey is HISBIRDLVKDNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-2-12(5-6-12)11(15)8-3-4-10(14)9(13)7-8/h3-4,7H,2,5-6,14H2,1H3.
What are the key properties of (4-amino-3-fluorophenyl)-(1-ethylcyclopropyl)methanone?
(4-amino-3-fluorophenyl)-(1-ethylcyclopropyl)methanone has a molecular weight of 207.25 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-fluorophenyl)-(1-ethylcyclopropyl)methanone is sourced from PubChem (CID 130553884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).