3-(2-chloro-5-fluorophenyl)pentanal

C11H12ClFO — CID 83835553

IUPAC3-(2-chloro-5-fluorophenyl)pentanal
SMILESCCC(CC=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H12ClFO/c1-2-8(5-6-14)10-7-9(13)3-4-11(10)12/h3-4,6-8H,2,5H2,1H3
InChIKeyYKTDGWQFTMIKSR-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.56
Rot. Bonds4

About 3-(2-chloro-5-fluorophenyl)pentanal

3-(2-chloro-5-fluorophenyl)pentanal (PubChem CID 83835553) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 3-(2-chloro-5-fluorophenyl)pentanal.

Molecular Properties

Compound Name3-(2-chloro-5-fluorophenyl)pentanal
PubChem CID83835553
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name3-(2-chloro-5-fluorophenyl)pentanal
SMILESCCC(CC=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H12ClFO/c1-2-8(5-6-14)10-7-9(13)3-4-11(10)12/h3-4,6-8H,2,5H2,1H3
InChIKeyYKTDGWQFTMIKSR-UHFFFAOYSA-N
XLogP3.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.56
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-chloro-5-fluorophenyl)propan-1-ol
CID 105393866
1-(2-chloro-5-fluorophenyl)-2-ethylbutan-1-amine
CID 105397485
1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 105397290
3-(2,5-difluorophenyl)-4-methylpentanal
CID 83835212
4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-3-methylbutanal
CID 86601720
2-(2-chloro-5-fluorophenyl)-3-fluoropropan-1-amine
CID 83819971
1-(2-chloro-5-fluorophenyl)prop-2-en-1-amine
CID 55271189
(2-chloro-5-fluorophenyl)methanediol
CID 71441110
2-[2-(2,5-difluorophenyl)butyl]-3-ethyloxirane
CID 83936121
3-[2-chloro-5-(trifluoromethyl)phenyl]butanal
CID 117380007
3-(2-bromo-4-fluorophenyl)butanal
CID 117364023
4-fluoro-2-pentan-3-yl-1-propylbenzene
CID 170087040

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluorophenyl)pentanal?
The IUPAC name of 3-(2-chloro-5-fluorophenyl)pentanal (CID 83835553) is 3-(2-chloro-5-fluorophenyl)pentanal.
What is the SMILES notation for 3-(2-chloro-5-fluorophenyl)pentanal?
The canonical SMILES for 3-(2-chloro-5-fluorophenyl)pentanal is CCC(CC=O)c1cc(F)ccc1Cl.
What is the InChIKey of 3-(2-chloro-5-fluorophenyl)pentanal?
The InChIKey is YKTDGWQFTMIKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c1-2-8(5-6-14)10-7-9(13)3-4-11(10)12/h3-4,6-8H,2,5H2,1H3.
What are the key properties of 3-(2-chloro-5-fluorophenyl)pentanal?
3-(2-chloro-5-fluorophenyl)pentanal has a molecular weight of 214.67 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluorophenyl)pentanal is sourced from PubChem (CID 83835553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).