1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde

C7H12FNO — CID 91252821

IUPAC1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde
SMILESCCNC1(C=O)CC(F)C1
InChIInChI=1S/C7H12FNO/c1-2-9-7(5-10)3-6(8)4-7/h5-6,9H,2-4H2,1H3
InChIKeyFEIBMGDSMPUPSF-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.67
Rot. Bonds3

About 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde

1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde (PubChem CID 91252821) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde
PubChem CID91252821
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde
SMILESCCNC1(C=O)CC(F)C1
InChIInChI=1S/C7H12FNO/c1-2-9-7(5-10)3-6(8)4-7/h5-6,9H,2-4H2,1H3
InChIKeyFEIBMGDSMPUPSF-UHFFFAOYSA-N
XLogP0.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-fluorocyclobutane-1-carbaldehyde
CID 58564865
1-(propylamino)cyclopropane-1-carbaldehyde
CID 174589719
ethane;N-ethylbicyclo[1.1.0]butan-1-amine
CID 177368073
(1-ethyl-3-fluorocyclobutyl)hydrazine
CID 166983927
methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate
CID 60787527
1-(2,2,2-trifluoroethylamino)cyclopropane-1-carbaldehyde
CID 134421455
1,2-difluorocyclopropane-1-carbaldehyde
CID 91436166
methyl 1-(ethylamino)-3-(2-methoxyethylsulfanyl)cyclopentane-1-carboxylate
CID 79653590
N-ethyl-2,3-dimethyloxolan-3-amine
CID 103581198
1,3-diethylcyclopentane-1-carbaldehyde
CID 126998053
ethyl 3-fluoro-1-methylcyclobutane-1-carboxylate
CID 89136662
trans-(1S,3R)-3-fluoro-1-methylcyclohexane-1-carbaldehyde
CID 45083526

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde?
The IUPAC name of 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde (CID 91252821) is 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde.
What is the SMILES notation for 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde?
The canonical SMILES for 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde is CCNC1(C=O)CC(F)C1.
What is the InChIKey of 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde?
The InChIKey is FEIBMGDSMPUPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-2-9-7(5-10)3-6(8)4-7/h5-6,9H,2-4H2,1H3.
What are the key properties of 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde?
1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde has a molecular weight of 145.18 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-fluorocyclobutane-1-carbaldehyde is sourced from PubChem (CID 91252821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).