3-(3,3-difluoropropoxy)benzaldehyde

C10H10F2O2 — CID 83854624

IUPAC3-(3,3-difluoropropoxy)benzaldehyde
SMILESO=Cc1cccc(OCCC(F)F)c1
InChIInChI=1S/C10H10F2O2/c11-10(12)4-5-14-9-3-1-2-8(6-9)7-13/h1-3,6-7,10H,4-5H2
InChIKeyUCFBXZAFDUEIOB-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.53
Rot. Bonds5

About 3-(3,3-difluoropropoxy)benzaldehyde

3-(3,3-difluoropropoxy)benzaldehyde (PubChem CID 83854624) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 3-(3,3-difluoropropoxy)benzaldehyde.

Molecular Properties

Compound Name3-(3,3-difluoropropoxy)benzaldehyde
PubChem CID83854624
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name3-(3,3-difluoropropoxy)benzaldehyde
SMILESO=Cc1cccc(OCCC(F)F)c1
InChIInChI=1S/C10H10F2O2/c11-10(12)4-5-14-9-3-1-2-8(6-9)7-13/h1-3,6-7,10H,4-5H2
InChIKeyUCFBXZAFDUEIOB-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
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

3-butoxybenzaldehyde;ethane
CID 91380350
3-(3-oxopropoxy)benzaldehyde
CID 63040628
3-(fluoromethoxy)benzaldehyde
CID 22718686
3-(3,3,3-trifluoropropoxy)benzaldehyde
CID 21071509
3-(2-methylsulfanyloxyethoxy)benzaldehyde
CID 143732279
3-butoxybenzaldehyde;3-hydroxybenzaldehyde
CID 157058924
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471
3-(3-morpholin-4-ylbutoxy)benzaldehyde
CID 82037081
3-[4-(dimethylamino)butoxy]benzaldehyde
CID 50874377
1-(3,3-difluoropropoxy)-3-ethynylbenzene
CID 86627697
3-(1,2,3-trifluoropropoxy)benzaldehyde
CID 21071549
3-(2-thiophen-2-ylethoxy)benzaldehyde
CID 63775498

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropropoxy)benzaldehyde?
The IUPAC name of 3-(3,3-difluoropropoxy)benzaldehyde (CID 83854624) is 3-(3,3-difluoropropoxy)benzaldehyde.
What is the SMILES notation for 3-(3,3-difluoropropoxy)benzaldehyde?
The canonical SMILES for 3-(3,3-difluoropropoxy)benzaldehyde is O=Cc1cccc(OCCC(F)F)c1.
What is the InChIKey of 3-(3,3-difluoropropoxy)benzaldehyde?
The InChIKey is UCFBXZAFDUEIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c11-10(12)4-5-14-9-3-1-2-8(6-9)7-13/h1-3,6-7,10H,4-5H2.
What are the key properties of 3-(3,3-difluoropropoxy)benzaldehyde?
3-(3,3-difluoropropoxy)benzaldehyde has a molecular weight of 200.18 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropropoxy)benzaldehyde is sourced from PubChem (CID 83854624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).