2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carbaldehyde

C13H15FO — CID 105458991

IUPAC2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carbaldehyde
SMILESCC(C)C1(c2cccc(F)c2)CC1C=O
InChIInChI=1S/C13H15FO/c1-9(2)13(7-11(13)8-15)10-4-3-5-12(14)6-10/h3-6,8-9,11H,7H2,1-2H3
InChIKeyWCGCAWXXCTURRS-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.94
Rot. Bonds3

About 2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carbaldehyde

2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carbaldehyde (PubChem CID 105458991) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carbaldehyde
PubChem CID105458991
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carbaldehyde
SMILESCC(C)C1(c2cccc(F)c2)CC1C=O
InChIInChI=1S/C13H15FO/c1-9(2)13(7-11(13)8-15)10-4-3-5-12(14)6-10/h3-6,8-9,11H,7H2,1-2H3
InChIKeyWCGCAWXXCTURRS-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.94
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

(1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 105479070
ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde
CID 177135827
1-(3-fluorophenyl)-3-propan-2-ylcyclobutan-1-amine
CID 65016881
1-fluoro-3-(1-propan-2-ylcyclopropyl)benzene;1-methyl-4-(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclohexyl)benzene;(1-propan-2-ylcyclopentyl)benzene
CID 159896274
2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 62387493
(1R)-2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 105432735
1-(3-fluorophenyl)-2-methylcyclopropan-1-ol
CID 79333941
(Z)-3-[(1R)-2,2-bis(3-fluorophenyl)cyclopropyl]prop-2-enoic acid
CID 14347553
1-fluoro-3-(1-methylcyclopropyl)benzene
CID 90779989
acetaldehyde;1,3-difluorobenzene
CID 160854263
1,3-difluorobenzene;formic acid
CID 158586074
2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid
CID 68973973

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carbaldehyde?
The IUPAC name of 2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carbaldehyde (CID 105458991) is 2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carbaldehyde.
What is the SMILES notation for 2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carbaldehyde?
The canonical SMILES for 2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carbaldehyde is CC(C)C1(c2cccc(F)c2)CC1C=O.
What is the InChIKey of 2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carbaldehyde?
The InChIKey is WCGCAWXXCTURRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c1-9(2)13(7-11(13)8-15)10-4-3-5-12(14)6-10/h3-6,8-9,11H,7H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carbaldehyde?
2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carbaldehyde has a molecular weight of 206.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 105458991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).