4-(1-cyclopropyl-2-fluoroethyl)benzaldehyde

C12H13FO — CID 115019023

IUPAC4-(1-cyclopropyl-2-fluoroethyl)benzaldehyde
SMILESO=Cc1ccc(C(CF)C2CC2)cc1
InChIInChI=1S/C12H13FO/c13-7-12(11-5-6-11)10-3-1-9(8-14)2-4-10/h1-4,8,11-12H,5-7H2
InChIKeyVNJPKVCTYGTRPD-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.96
Rot. Bonds4

About 4-(1-cyclopropyl-2-fluoroethyl)benzaldehyde

4-(1-cyclopropyl-2-fluoroethyl)benzaldehyde (PubChem CID 115019023) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 4-(1-cyclopropyl-2-fluoroethyl)benzaldehyde.

Molecular Properties

Compound Name4-(1-cyclopropyl-2-fluoroethyl)benzaldehyde
PubChem CID115019023
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name4-(1-cyclopropyl-2-fluoroethyl)benzaldehyde
SMILESO=Cc1ccc(C(CF)C2CC2)cc1
InChIInChI=1S/C12H13FO/c13-7-12(11-5-6-11)10-3-1-9(8-14)2-4-10/h1-4,8,11-12H,5-7H2
InChIKeyVNJPKVCTYGTRPD-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.96
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

4-(1-cyclopropyl-2-fluoroethyl)aniline
CID 115015431
[4-(1-cyclobutyl-2-fluoroethyl)phenyl]methanamine
CID 115025387
4-(1-cyclopentyl-2,2-difluoroethyl)benzaldehyde
CID 115042518
4-[2-(fluoromethyl)cyclobutyl]benzaldehyde
CID 115019010
4-[2,2-difluoro-1-(oxan-4-yl)ethyl]benzaldehyde
CID 115047309
4-[(1,1-dioxothiolan-3-yl)-fluoromethyl]benzaldehyde
CID 115047789
4-[(1,1-dioxothian-4-yl)-hydroxymethyl]benzaldehyde
CID 115049999
4-[(1R)-1-fluoroethyl]benzaldehyde
CID 124547500
4-[chloro(fluoro)methyl]benzaldehyde
CID 54039604
(1S,5S)-1,5-dicyclopropyl-1,5-bis(4-fluorophenyl)pentan-3-one
CID 97304327
4-propan-2-ylbenzaldehyde
CID 326
2-cyclopropyl-2-(4-fluorophenyl)ethanol
CID 82075045

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyl-2-fluoroethyl)benzaldehyde?
The IUPAC name of 4-(1-cyclopropyl-2-fluoroethyl)benzaldehyde (CID 115019023) is 4-(1-cyclopropyl-2-fluoroethyl)benzaldehyde.
What is the SMILES notation for 4-(1-cyclopropyl-2-fluoroethyl)benzaldehyde?
The canonical SMILES for 4-(1-cyclopropyl-2-fluoroethyl)benzaldehyde is O=Cc1ccc(C(CF)C2CC2)cc1.
What is the InChIKey of 4-(1-cyclopropyl-2-fluoroethyl)benzaldehyde?
The InChIKey is VNJPKVCTYGTRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c13-7-12(11-5-6-11)10-3-1-9(8-14)2-4-10/h1-4,8,11-12H,5-7H2.
What are the key properties of 4-(1-cyclopropyl-2-fluoroethyl)benzaldehyde?
4-(1-cyclopropyl-2-fluoroethyl)benzaldehyde has a molecular weight of 192.23 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyl-2-fluoroethyl)benzaldehyde is sourced from PubChem (CID 115019023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).