3-ethylcyclopentan-1-one;(3-ethylcyclopentyl)hydrazine;2,2,2-trifluoroacetic acid

C16H29F3N2O3 — CID 158356511

IUPAC3-ethylcyclopentan-1-one;(3-ethylcyclopentyl)hydrazine;2,2,2-trifluoroacetic acid
SMILESCCC1CCC(=O)C1.CCC1CCC(NN)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2.C7H12O.C2HF3O2/c1-2-6-3-4-7(5-6)9-8;1-2-6-3-4-7(8)5-6;3-2(4,5)1(6)7/h6-7,9H,2-5,8H2,1H3;6H,2-5H2,1H3;(H,6,7)
InChIKeyPOPNJKALWCSGHM-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.43
Rot. Bonds3

About 3-ethylcyclopentan-1-one;(3-ethylcyclopentyl)hydrazine;2,2,2-trifluoroacetic acid

3-ethylcyclopentan-1-one;(3-ethylcyclopentyl)hydrazine;2,2,2-trifluoroacetic acid (PubChem CID 158356511) has the molecular formula C16H29F3N2O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-ethylcyclopentan-1-one;(3-ethylcyclopentyl)hydrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-ethylcyclopentan-1-one;(3-ethylcyclopentyl)hydrazine;2,2,2-trifluoroacetic acid
PubChem CID158356511
Molecular FormulaC16H29F3N2O3
Molecular Weight354.41 g/mol
Exact Mass354.21
IUPAC Name3-ethylcyclopentan-1-one;(3-ethylcyclopentyl)hydrazine;2,2,2-trifluoroacetic acid
SMILESCCC1CCC(=O)C1.CCC1CCC(NN)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2.C7H12O.C2HF3O2/c1-2-6-3-4-7(5-6)9-8;1-2-6-3-4-7(8)5-6;3-2(4,5)1(6)7/h6-7,9H,2-5,8H2,1H3;6H,2-5H2,1H3;(H,6,7)
InChIKeyPOPNJKALWCSGHM-UHFFFAOYSA-N
XLogP3.43
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(3-ethylcyclopentan-1-one);methane
CID 159745334
(3S)-3-aminocyclopentan-1-one;2,2,2-trifluoroacetic acid
CID 169448459
3-ethylcyclononan-1-one
CID 70178778
(3R)-3-ethyl-N-methylcyclopentan-1-amine
CID 143473182
cycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one
CID 158392775
cyclopropanamine;bis(2,2,2-trifluoroacetic acid)
CID 162300046
1-(5-ethyl-2-oxocyclohexylidene)ethyl acetate
CID 174440121
5-[(3-ethylcyclopentyl)amino]-2,4-difluorobenzoic acid
CID 64502134
3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one
CID 121217828
cis-ethyl (1R,3S)-3-aminocyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid
CID 86717536
cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 68531631
1-amino-3-(4-ethylcyclohexyl)urea
CID 61468290

Frequently Asked Questions

What is the IUPAC name of 3-ethylcyclopentan-1-one;(3-ethylcyclopentyl)hydrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-ethylcyclopentan-1-one;(3-ethylcyclopentyl)hydrazine;2,2,2-trifluoroacetic acid (CID 158356511) is 3-ethylcyclopentan-1-one;(3-ethylcyclopentyl)hydrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-ethylcyclopentan-1-one;(3-ethylcyclopentyl)hydrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-ethylcyclopentan-1-one;(3-ethylcyclopentyl)hydrazine;2,2,2-trifluoroacetic acid is CCC1CCC(=O)C1.CCC1CCC(NN)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-ethylcyclopentan-1-one;(3-ethylcyclopentyl)hydrazine;2,2,2-trifluoroacetic acid?
The InChIKey is POPNJKALWCSGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C7H12O.C2HF3O2/c1-2-6-3-4-7(5-6)9-8;1-2-6-3-4-7(8)5-6;3-2(4,5)1(6)7/h6-7,9H,2-5,8H2,1H3;6H,2-5H2,1H3;(H,6,7).
What are the key properties of 3-ethylcyclopentan-1-one;(3-ethylcyclopentyl)hydrazine;2,2,2-trifluoroacetic acid?
3-ethylcyclopentan-1-one;(3-ethylcyclopentyl)hydrazine;2,2,2-trifluoroacetic acid has a molecular weight of 354.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylcyclopentan-1-one;(3-ethylcyclopentyl)hydrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158356511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).