5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde

C10H8ClF3O2 — CID 60772707

IUPAC5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde
SMILESO=Cc1cc(Cl)ccc1OCCC(F)(F)F
InChIInChI=1S/C10H8ClF3O2/c11-8-1-2-9(7(5-8)6-15)16-4-3-10(12,13)14/h1-2,5-6H,3-4H2
InChIKeyRIULFFMXEOSCPN-UHFFFAOYSA-N
MW252.62 g/mol
LogP3.48
Rot. Bonds4

About 5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde

5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde (PubChem CID 60772707) has the molecular formula C10H8ClF3O2 and a molecular weight of 252.62 g/mol. Its IUPAC name is 5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde
PubChem CID60772707
Molecular FormulaC10H8ClF3O2
Molecular Weight252.62 g/mol
Exact Mass252.02
IUPAC Name5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde
SMILESO=Cc1cc(Cl)ccc1OCCC(F)(F)F
InChIInChI=1S/C10H8ClF3O2/c11-8-1-2-9(7(5-8)6-15)16-4-3-10(12,13)14/h1-2,5-6H,3-4H2
InChIKeyRIULFFMXEOSCPN-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.62
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 79354849
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CID 22684407
5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide
CID 64567349
5-chloro-2-(3,3,3-trifluoropropoxy)benzenecarbothioamide
CID 82955460
5-chloro-2-pent-3-ynoxybenzaldehyde
CID 104744169
2-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-5-chlorobenzaldehyde
CID 22687213
(4-chloro-2-formylphenyl) trifluoromethanesulfonate
CID 11737792
5-chloro-2-(2-phenylsulfanylethoxy)benzaldehyde
CID 79222426
1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
CID 64554992
5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde
CID 20992054
5-chloro-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699555

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde?
The IUPAC name of 5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde (CID 60772707) is 5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde.
What is the SMILES notation for 5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde?
The canonical SMILES for 5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde is O=Cc1cc(Cl)ccc1OCCC(F)(F)F.
What is the InChIKey of 5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde?
The InChIKey is RIULFFMXEOSCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O2/c11-8-1-2-9(7(5-8)6-15)16-4-3-10(12,13)14/h1-2,5-6H,3-4H2.
What are the key properties of 5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde?
5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde has a molecular weight of 252.62 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde is sourced from PubChem (CID 60772707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).