1-[difluoro(methoxy)methyl]-2,5-difluoro-4-pentylbenzene

C13H16F4O — CID 58719084

IUPAC1-[difluoro(methoxy)methyl]-2,5-difluoro-4-pentylbenzene
SMILESCCCCCc1cc(F)c(C(F)(F)OC)cc1F
InChIInChI=1S/C13H16F4O/c1-3-4-5-6-9-7-12(15)10(8-11(9)14)13(16,17)18-2/h7-8H,3-6H2,1-2H3
InChIKeyDULGQIFZDXGCMA-UHFFFAOYSA-N
MW264.26 g/mol
LogP4.39
Rot. Bonds6

About 1-[difluoro(methoxy)methyl]-2,5-difluoro-4-pentylbenzene

1-[difluoro(methoxy)methyl]-2,5-difluoro-4-pentylbenzene (PubChem CID 58719084) has the molecular formula C13H16F4O and a molecular weight of 264.26 g/mol. Its IUPAC name is 1-[difluoro(methoxy)methyl]-2,5-difluoro-4-pentylbenzene.

Molecular Properties

Compound Name1-[difluoro(methoxy)methyl]-2,5-difluoro-4-pentylbenzene
PubChem CID58719084
Molecular FormulaC13H16F4O
Molecular Weight264.26 g/mol
Exact Mass264.11
IUPAC Name1-[difluoro(methoxy)methyl]-2,5-difluoro-4-pentylbenzene
SMILESCCCCCc1cc(F)c(C(F)(F)OC)cc1F
InChIInChI=1S/C13H16F4O/c1-3-4-5-6-9-7-12(15)10(8-11(9)14)13(16,17)18-2/h7-8H,3-6H2,1-2H3
InChIKeyDULGQIFZDXGCMA-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-difluoro-2-methyl-5-pentylbenzene
CID 58718854
(2,5-difluoro-4-pentylphenyl)boronic acid
CID 54088623
1-butyl-4-[4-[4-(4-butyl-2,5-difluorophenyl)-2,5-difluorophenyl]-2,5-difluorophenyl]-2,5-difluorobenzene
CID 59906802
2,4-difluoro-1-pentylbenzene
CID 20770613
4-butyl-2,5-difluoroaniline
CID 107616102
1,2,4-trifluoro-5-[4-(tripropoxymethyl)dodecyl]benzene
CID 172700843
2-fluoro-4-(methoxymethoxy)-1-pentylbenzene
CID 58719021
2-methyl-3-propan-2-yl-4-[5-(2,4,5-trifluorophenyl)pentyl]dodecan-3-ol
CID 151687437
2-fluoro-1-heptyl-4-methylbenzene
CID 58718848
2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene
CID 20705700
3-fluoro-6-methyl-2-pentylnaphthalene
CID 58718820
dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane
CID 90172605

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(methoxy)methyl]-2,5-difluoro-4-pentylbenzene?
The IUPAC name of 1-[difluoro(methoxy)methyl]-2,5-difluoro-4-pentylbenzene (CID 58719084) is 1-[difluoro(methoxy)methyl]-2,5-difluoro-4-pentylbenzene.
What is the SMILES notation for 1-[difluoro(methoxy)methyl]-2,5-difluoro-4-pentylbenzene?
The canonical SMILES for 1-[difluoro(methoxy)methyl]-2,5-difluoro-4-pentylbenzene is CCCCCc1cc(F)c(C(F)(F)OC)cc1F.
What is the InChIKey of 1-[difluoro(methoxy)methyl]-2,5-difluoro-4-pentylbenzene?
The InChIKey is DULGQIFZDXGCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4O/c1-3-4-5-6-9-7-12(15)10(8-11(9)14)13(16,17)18-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-[difluoro(methoxy)methyl]-2,5-difluoro-4-pentylbenzene?
1-[difluoro(methoxy)methyl]-2,5-difluoro-4-pentylbenzene has a molecular weight of 264.26 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(methoxy)methyl]-2,5-difluoro-4-pentylbenzene is sourced from PubChem (CID 58719084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).