1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene

C9H6F6 — CID 91063618

IUPAC1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene
SMILESFc1cc(CCC(F)F)c(F)c(F)c1F
InChIInChI=1S/C9H6F6/c10-5-3-4(1-2-6(11)12)7(13)9(15)8(5)14/h3,6H,1-2H2
InChIKeyDVGZUBLMUHCSNE-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.44
Rot. Bonds3

About 1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene

1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene (PubChem CID 91063618) has the molecular formula C9H6F6 and a molecular weight of 228.13 g/mol. Its IUPAC name is 1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene.

Molecular Properties

Compound Name1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene
PubChem CID91063618
Molecular FormulaC9H6F6
Molecular Weight228.13 g/mol
Exact Mass228.04
IUPAC Name1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene
SMILESFc1cc(CCC(F)F)c(F)c(F)c1F
InChIInChI=1S/C9H6F6/c10-5-3-4(1-2-6(11)12)7(13)9(15)8(5)14/h3,6H,1-2H2
InChIKeyDVGZUBLMUHCSNE-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(2,3,4,5-tetrafluorophenyl)butan-1-amine
CID 87970445
2-(2,3,4,5-tetrafluorophenyl)ethanol
CID 55267980
2-(aminomethyl)-4-methyl-6-(2,3,4,5-tetrafluorophenyl)hexanoic acid
CID 87760829
ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
CID 90171128
2-(2,3,4,5-tetrafluorophenyl)acetic acid
CID 18625682
1-[6-(2-ethoxypropan-2-yl)tetradecyl]-2,3,4,5-tetrafluorobenzene
CID 151419404
trihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 90174029
CID 90175207
CID 90175207
CID 90172645
CID 90172645
3-(3-chloro-2,4,5-trifluorophenyl)propan-1-amine
CID 115113368
5-(3,3-difluoropropyl)-3-fluoro-6-methoxypyridin-2-amine
CID 164908467
diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 90173067

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene?
The IUPAC name of 1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene (CID 91063618) is 1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene.
What is the SMILES notation for 1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene?
The canonical SMILES for 1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene is Fc1cc(CCC(F)F)c(F)c(F)c1F.
What is the InChIKey of 1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene?
The InChIKey is DVGZUBLMUHCSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6/c10-5-3-4(1-2-6(11)12)7(13)9(15)8(5)14/h3,6H,1-2H2.
What are the key properties of 1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene?
1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene has a molecular weight of 228.13 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene is sourced from PubChem (CID 91063618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).