2-ethyl-2-(2-fluorophenyl)cyclopropane-1-carbaldehyde

C12H13FO — CID 105446072

IUPAC2-ethyl-2-(2-fluorophenyl)cyclopropane-1-carbaldehyde
SMILESCCC1(c2ccccc2F)CC1C=O
InChIInChI=1S/C12H13FO/c1-2-12(7-9(12)8-14)10-5-3-4-6-11(10)13/h3-6,8-9H,2,7H2,1H3
InChIKeyRBTHAZRMYJQZRT-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.69
Rot. Bonds3

About 2-ethyl-2-(2-fluorophenyl)cyclopropane-1-carbaldehyde

2-ethyl-2-(2-fluorophenyl)cyclopropane-1-carbaldehyde (PubChem CID 105446072) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-ethyl-2-(2-fluorophenyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-2-(2-fluorophenyl)cyclopropane-1-carbaldehyde
PubChem CID105446072
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name2-ethyl-2-(2-fluorophenyl)cyclopropane-1-carbaldehyde
SMILESCCC1(c2ccccc2F)CC1C=O
InChIInChI=1S/C12H13FO/c1-2-12(7-9(12)8-14)10-5-3-4-6-11(10)13/h3-6,8-9H,2,7H2,1H3
InChIKeyRBTHAZRMYJQZRT-UHFFFAOYSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(chloromethyl)-1-ethylcyclopropyl]-2-fluorobenzene
CID 112680395
N-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 112680012
1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene
CID 22420584
ethyl 4-ethyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylate
CID 114486764
N-[[1-(2-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine
CID 113404814
2-[(4S,5R)-2,2-diethyl-4-(2-fluorophenyl)-1,3-dioxan-5-yl]acetaldehyde
CID 18601480
1-(2-fluorophenyl)-3-propylcyclobutane-1-carboxylic acid
CID 65014142
(6S)-3-fluoro-3-(fluoromethyl)-6-(2-fluorophenyl)-6-methylpiperidine-2-carbaldehyde
CID 174890713
N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79679545
2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbaldehyde
CID 105485231
tert-butyl 2-[(2R,3R)-3-(2-fluorophenyl)-2-formyloxolan-3-yl]acetate
CID 161137630
N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine
CID 65013584

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-fluorophenyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 2-ethyl-2-(2-fluorophenyl)cyclopropane-1-carbaldehyde (CID 105446072) is 2-ethyl-2-(2-fluorophenyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 2-ethyl-2-(2-fluorophenyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 2-ethyl-2-(2-fluorophenyl)cyclopropane-1-carbaldehyde is CCC1(c2ccccc2F)CC1C=O.
What is the InChIKey of 2-ethyl-2-(2-fluorophenyl)cyclopropane-1-carbaldehyde?
The InChIKey is RBTHAZRMYJQZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-2-12(7-9(12)8-14)10-5-3-4-6-11(10)13/h3-6,8-9H,2,7H2,1H3.
What are the key properties of 2-ethyl-2-(2-fluorophenyl)cyclopropane-1-carbaldehyde?
2-ethyl-2-(2-fluorophenyl)cyclopropane-1-carbaldehyde has a molecular weight of 192.23 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-fluorophenyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 105446072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).