2-[8-(2,2-difluorocyclopropyl)octyl]-1,1-difluorocyclopropane

C14H22F4 — CID 163201042

IUPAC2-[8-(2,2-difluorocyclopropyl)octyl]-1,1-difluorocyclopropane
SMILESFC1(F)CC1CCCCCCCCC1CC1(F)F
InChIInChI=1S/C14H22F4/c15-13(16)9-11(13)7-5-3-1-2-4-6-8-12-10-14(12,17)18/h11-12H,1-10H2
InChIKeyTWCLDBQDBYGGJA-UHFFFAOYSA-N
MW266.32 g/mol
LogP5.42
Rot. Bonds9

About 2-[8-(2,2-difluorocyclopropyl)octyl]-1,1-difluorocyclopropane

2-[8-(2,2-difluorocyclopropyl)octyl]-1,1-difluorocyclopropane (PubChem CID 163201042) has the molecular formula C14H22F4 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[8-(2,2-difluorocyclopropyl)octyl]-1,1-difluorocyclopropane.

Molecular Properties

Compound Name2-[8-(2,2-difluorocyclopropyl)octyl]-1,1-difluorocyclopropane
PubChem CID163201042
Molecular FormulaC14H22F4
Molecular Weight266.32 g/mol
Exact Mass266.17
IUPAC Name2-[8-(2,2-difluorocyclopropyl)octyl]-1,1-difluorocyclopropane
SMILESFC1(F)CC1CCCCCCCCC1CC1(F)F
InChIInChI=1S/C14H22F4/c15-13(16)9-11(13)7-5-3-1-2-4-6-8-12-10-14(12,17)18/h11-12H,1-10H2
InChIKeyTWCLDBQDBYGGJA-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.32
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(2,2-difluorocyclopropyl)octyl]-1,1-difluorocyclopropane?
The IUPAC name of 2-[8-(2,2-difluorocyclopropyl)octyl]-1,1-difluorocyclopropane (CID 163201042) is 2-[8-(2,2-difluorocyclopropyl)octyl]-1,1-difluorocyclopropane.
What is the SMILES notation for 2-[8-(2,2-difluorocyclopropyl)octyl]-1,1-difluorocyclopropane?
The canonical SMILES for 2-[8-(2,2-difluorocyclopropyl)octyl]-1,1-difluorocyclopropane is FC1(F)CC1CCCCCCCCC1CC1(F)F.
What is the InChIKey of 2-[8-(2,2-difluorocyclopropyl)octyl]-1,1-difluorocyclopropane?
The InChIKey is TWCLDBQDBYGGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F4/c15-13(16)9-11(13)7-5-3-1-2-4-6-8-12-10-14(12,17)18/h11-12H,1-10H2.
What are the key properties of 2-[8-(2,2-difluorocyclopropyl)octyl]-1,1-difluorocyclopropane?
2-[8-(2,2-difluorocyclopropyl)octyl]-1,1-difluorocyclopropane has a molecular weight of 266.32 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2,2-difluorocyclopropyl)octyl]-1,1-difluorocyclopropane is sourced from PubChem (CID 163201042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).