1-[2-[1-(2-amino-3-fluorocyclohex-3-en-1-yl)ethyl]cyclopropyl]propan-1-one

C14H22FNO — CID 91087525

IUPAC1-[2-[1-(2-amino-3-fluorocyclohex-3-en-1-yl)ethyl]cyclopropyl]propan-1-one
SMILESCCC(=O)C1CC1C(C)C1CCC=C(F)C1N
InChIInChI=1S/C14H22FNO/c1-3-13(17)11-7-10(11)8(2)9-5-4-6-12(15)14(9)16/h6,8-11,14H,3-5,7,16H2,1-2H3
InChIKeyQEBBTDSEQJQSMQ-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.83
Rot. Bonds4

About 1-[2-[1-(2-amino-3-fluorocyclohex-3-en-1-yl)ethyl]cyclopropyl]propan-1-one

1-[2-[1-(2-amino-3-fluorocyclohex-3-en-1-yl)ethyl]cyclopropyl]propan-1-one (PubChem CID 91087525) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-[2-[1-(2-amino-3-fluorocyclohex-3-en-1-yl)ethyl]cyclopropyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[1-(2-amino-3-fluorocyclohex-3-en-1-yl)ethyl]cyclopropyl]propan-1-one
PubChem CID91087525
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-[2-[1-(2-amino-3-fluorocyclohex-3-en-1-yl)ethyl]cyclopropyl]propan-1-one
SMILESCCC(=O)C1CC1C(C)C1CCC=C(F)C1N
InChIInChI=1S/C14H22FNO/c1-3-13(17)11-7-10(11)8(2)9-5-4-6-12(15)14(9)16/h6,8-11,14H,3-5,7,16H2,1-2H3
InChIKeyQEBBTDSEQJQSMQ-UHFFFAOYSA-N
XLogP2.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[1-(2-amino-3-fluorocyclohex-3-en-1-yl)ethyl]cyclopropyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-Amino-4-fluoro-1,3-dimethylcyclohex-2-en-1-yl)ethanone
CID 164139628
1-[(4S)-4-[(3S)-3-aminobutyl]cyclohexen-1-yl]propan-1-one
CID 68341167
(3R)-3-amino-4-[3-[(E)-but-2-en-2-yl]cyclopropen-1-yl]butan-2-one
CID 126701838
3-Amino-1-(6-ethyl-2-methylcyclohex-3-en-1-yl)butan-1-one
CID 141222183
3-Amino-4-cyclohex-3-en-1-ylbutan-2-one
CID 141893608
3-amino-1-[(2Z)-cyclooct-2-en-1-yl]butan-1-one
CID 156532949
6-Amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one
CID 106655363
1-(4-Aminocyclopent-2-en-1-yl)oct-7-en-1-one
CID 107010912
1-(4-Aminocyclopent-2-en-1-yl)undecan-1-one
CID 113539856
9-Amino-2,5-dimethyldec-2-en-4-one
CID 116574382
1-(4-Aminocyclopent-2-en-1-yl)-3-ethylheptan-1-one
CID 116584757
1-(4-Aminocyclopent-2-en-1-yl)decan-1-one
CID 116584761

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-amino-3-fluorocyclohex-3-en-1-yl)ethyl]cyclopropyl]propan-1-one?
The IUPAC name of 1-[2-[1-(2-amino-3-fluorocyclohex-3-en-1-yl)ethyl]cyclopropyl]propan-1-one (CID 91087525) is 1-[2-[1-(2-amino-3-fluorocyclohex-3-en-1-yl)ethyl]cyclopropyl]propan-1-one.
What is the SMILES notation for 1-[2-[1-(2-amino-3-fluorocyclohex-3-en-1-yl)ethyl]cyclopropyl]propan-1-one?
The canonical SMILES for 1-[2-[1-(2-amino-3-fluorocyclohex-3-en-1-yl)ethyl]cyclopropyl]propan-1-one is CCC(=O)C1CC1C(C)C1CCC=C(F)C1N.
What is the InChIKey of 1-[2-[1-(2-amino-3-fluorocyclohex-3-en-1-yl)ethyl]cyclopropyl]propan-1-one?
The InChIKey is QEBBTDSEQJQSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-13(17)11-7-10(11)8(2)9-5-4-6-12(15)14(9)16/h6,8-11,14H,3-5,7,16H2,1-2H3.
What are the key properties of 1-[2-[1-(2-amino-3-fluorocyclohex-3-en-1-yl)ethyl]cyclopropyl]propan-1-one?
1-[2-[1-(2-amino-3-fluorocyclohex-3-en-1-yl)ethyl]cyclopropyl]propan-1-one has a molecular weight of 239.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-amino-3-fluorocyclohex-3-en-1-yl)ethyl]cyclopropyl]propan-1-one is sourced from PubChem (CID 91087525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).