4-(difluoromethoxy)butoxymethylbenzene

C12H16F2O2 — CID 122164098

IUPAC4-(difluoromethoxy)butoxymethylbenzene
SMILESFC(F)OCCCCOCc1ccccc1
InChIInChI=1S/C12H16F2O2/c13-12(14)16-9-5-4-8-15-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChIKeyVASXCMJKHTVFHG-UHFFFAOYSA-N
MW230.25 g/mol
LogP3.22
Rot. Bonds8

About 4-(difluoromethoxy)butoxymethylbenzene

4-(difluoromethoxy)butoxymethylbenzene (PubChem CID 122164098) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 4-(difluoromethoxy)butoxymethylbenzene.

Molecular Properties

Compound Name4-(difluoromethoxy)butoxymethylbenzene
PubChem CID122164098
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name4-(difluoromethoxy)butoxymethylbenzene
SMILESFC(F)OCCCCOCc1ccccc1
InChIInChI=1S/C12H16F2O2/c13-12(14)16-9-5-4-8-15-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChIKeyVASXCMJKHTVFHG-UHFFFAOYSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethoxy)ethoxymethylbenzene
CID 155234334
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
azane;hexoxymethylbenzene
CID 174805489
butoxymethylbenzene;ethane
CID 145341806
2-hexadecoxyethoxymethylbenzene
CID 19965709
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
lithium;butoxymethylbenzene;hydride
CID 175482454
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
15-bromopentadecoxymethylbenzene
CID 11338468
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)butoxymethylbenzene?
The IUPAC name of 4-(difluoromethoxy)butoxymethylbenzene (CID 122164098) is 4-(difluoromethoxy)butoxymethylbenzene.
What is the SMILES notation for 4-(difluoromethoxy)butoxymethylbenzene?
The canonical SMILES for 4-(difluoromethoxy)butoxymethylbenzene is FC(F)OCCCCOCc1ccccc1.
What is the InChIKey of 4-(difluoromethoxy)butoxymethylbenzene?
The InChIKey is VASXCMJKHTVFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c13-12(14)16-9-5-4-8-15-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2.
What are the key properties of 4-(difluoromethoxy)butoxymethylbenzene?
4-(difluoromethoxy)butoxymethylbenzene has a molecular weight of 230.25 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)butoxymethylbenzene is sourced from PubChem (CID 122164098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).