4-[(1R)-1-fluoroethyl]benzaldehyde

C9H9FO — CID 124547500

IUPAC4-[(1R)-1-fluoroethyl]benzaldehyde
SMILESC[C@@H](F)c1ccc(C=O)cc1
InChIInChI=1S/C9H9FO/c1-7(10)9-4-2-8(6-11)3-5-9/h2-7H,1H3/t7-/m1/s1
InChIKeyLCHFMQDYDVQCOC-SSDOTTSWSA-N
MW152.17 g/mol
LogP2.53
Rot. Bonds2

About 4-[(1R)-1-fluoroethyl]benzaldehyde

4-[(1R)-1-fluoroethyl]benzaldehyde (PubChem CID 124547500) has the molecular formula C9H9FO and a molecular weight of 152.17 g/mol. Its IUPAC name is 4-[(1R)-1-fluoroethyl]benzaldehyde.

Molecular Properties

Compound Name4-[(1R)-1-fluoroethyl]benzaldehyde
PubChem CID124547500
Molecular FormulaC9H9FO
Molecular Weight152.17 g/mol
Exact Mass152.06
IUPAC Name4-[(1R)-1-fluoroethyl]benzaldehyde
SMILESC[C@@H](F)c1ccc(C=O)cc1
InChIInChI=1S/C9H9FO/c1-7(10)9-4-2-8(6-11)3-5-9/h2-7H,1H3/t7-/m1/s1
InChIKeyLCHFMQDYDVQCOC-SSDOTTSWSA-N
XLogP2.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 52.53
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-propan-2-ylbenzaldehyde
CID 326
4-[chloro(fluoro)methyl]benzaldehyde
CID 54039604
ethane;iodomethane;4-propan-2-ylbenzaldehyde
CID 145474217
4-[4-(difluoromethyl)phenyl]benzaldehyde
CID 146027072
3-(1-fluoroethyl)benzaldehyde
CID 83856182
4-[(1S)-1-hydrazinylethyl]benzaldehyde
CID 87419135
4-(1-hydroxypropan-2-yl)benzaldehyde
CID 130131368
4-[(1R)-1-hydrazinylethyl]benzaldehyde
CID 89028166
4-[2-(4-formylphenyl)propyl]benzaldehyde
CID 141344923
1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride
CID 174326985
fluoroform;4-hydroxybenzaldehyde
CID 158009924
[(1S)-1-(4-formylphenyl)ethyl]carbamic acid
CID 118959221

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-fluoroethyl]benzaldehyde?
The IUPAC name of 4-[(1R)-1-fluoroethyl]benzaldehyde (CID 124547500) is 4-[(1R)-1-fluoroethyl]benzaldehyde.
What is the SMILES notation for 4-[(1R)-1-fluoroethyl]benzaldehyde?
The canonical SMILES for 4-[(1R)-1-fluoroethyl]benzaldehyde is C[C@@H](F)c1ccc(C=O)cc1.
What is the InChIKey of 4-[(1R)-1-fluoroethyl]benzaldehyde?
The InChIKey is LCHFMQDYDVQCOC-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H9FO/c1-7(10)9-4-2-8(6-11)3-5-9/h2-7H,1H3/t7-/m1/s1.
What are the key properties of 4-[(1R)-1-fluoroethyl]benzaldehyde?
4-[(1R)-1-fluoroethyl]benzaldehyde has a molecular weight of 152.17 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-fluoroethyl]benzaldehyde is sourced from PubChem (CID 124547500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).