3-fluoro-4-(3-fluoropropoxy)benzaldehyde

C10H10F2O2 — CID 103850099

IUPAC3-fluoro-4-(3-fluoropropoxy)benzaldehyde
SMILESO=Cc1ccc(OCCCF)c(F)c1
InChIInChI=1S/C10H10F2O2/c11-4-1-5-14-10-3-2-8(7-13)6-9(10)12/h2-3,6-7H,1,4-5H2
InChIKeyPJQOHXGEFRHUDC-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.38
Rot. Bonds5

About 3-fluoro-4-(3-fluoropropoxy)benzaldehyde

3-fluoro-4-(3-fluoropropoxy)benzaldehyde (PubChem CID 103850099) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 3-fluoro-4-(3-fluoropropoxy)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-(3-fluoropropoxy)benzaldehyde
PubChem CID103850099
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name3-fluoro-4-(3-fluoropropoxy)benzaldehyde
SMILESO=Cc1ccc(OCCCF)c(F)c1
InChIInChI=1S/C10H10F2O2/c11-4-1-5-14-10-3-2-8(7-13)6-9(10)12/h2-3,6-7H,1,4-5H2
InChIKeyPJQOHXGEFRHUDC-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
CID 107689660
3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde
CID 107689571
3-fluoro-4-(4-phenylbutoxy)benzaldehyde
CID 107689474
2-(2-fluoro-4-formylphenoxy)ethyl acetate
CID 87179406
4-(6-azidohexoxy)-3-fluorobenzaldehyde
CID 146226130
potassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide
CID 107693734
3-fluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]benzaldehyde
CID 140746892
6-(2-fluoro-4-formylphenoxy)-2,2-dimethylhexanenitrile
CID 106832439
3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde
CID 107689567
3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde
CID 102670875
4-(ethoxymethoxy)-3-fluorobenzaldehyde
CID 107689657
4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
CID 20794858

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-fluoropropoxy)benzaldehyde?
The IUPAC name of 3-fluoro-4-(3-fluoropropoxy)benzaldehyde (CID 103850099) is 3-fluoro-4-(3-fluoropropoxy)benzaldehyde.
What is the SMILES notation for 3-fluoro-4-(3-fluoropropoxy)benzaldehyde?
The canonical SMILES for 3-fluoro-4-(3-fluoropropoxy)benzaldehyde is O=Cc1ccc(OCCCF)c(F)c1.
What is the InChIKey of 3-fluoro-4-(3-fluoropropoxy)benzaldehyde?
The InChIKey is PJQOHXGEFRHUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c11-4-1-5-14-10-3-2-8(7-13)6-9(10)12/h2-3,6-7H,1,4-5H2.
What are the key properties of 3-fluoro-4-(3-fluoropropoxy)benzaldehyde?
3-fluoro-4-(3-fluoropropoxy)benzaldehyde has a molecular weight of 200.18 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-fluoropropoxy)benzaldehyde is sourced from PubChem (CID 103850099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).