2-[(E)-2-[1-(2-ethylcyclopropyl)cyclopropyl]non-3-enyl]-1,1-difluorocyclopropane

C20H32F2 — CID 139408521

IUPAC2-[(E)-2-[1-(2-ethylcyclopropyl)cyclopropyl]non-3-enyl]-1,1-difluorocyclopropane
SMILESCCCCC/C=C/C(CC1CC1(F)F)C1(C2CC2CC)CC1
InChIInChI=1S/C20H32F2/c1-3-5-6-7-8-9-16(13-17-14-20(17,21)22)19(10-11-19)18-12-15(18)4-2/h8-9,15-18H,3-7,10-14H2,1-2H3/b9-8+
InChIKeyTYTNSARMZJTJDH-CMDGGOBGSA-N
MW310.47 g/mol
LogP6.61
Rot. Bonds10

About 2-[(E)-2-[1-(2-ethylcyclopropyl)cyclopropyl]non-3-enyl]-1,1-difluorocyclopropane

2-[(E)-2-[1-(2-ethylcyclopropyl)cyclopropyl]non-3-enyl]-1,1-difluorocyclopropane (PubChem CID 139408521) has the molecular formula C20H32F2 and a molecular weight of 310.47 g/mol. Its IUPAC name is 2-[(E)-2-[1-(2-ethylcyclopropyl)cyclopropyl]non-3-enyl]-1,1-difluorocyclopropane.

Molecular Properties

Compound Name2-[(E)-2-[1-(2-ethylcyclopropyl)cyclopropyl]non-3-enyl]-1,1-difluorocyclopropane
PubChem CID139408521
Molecular FormulaC20H32F2
Molecular Weight310.47 g/mol
Exact Mass310.25
IUPAC Name2-[(E)-2-[1-(2-ethylcyclopropyl)cyclopropyl]non-3-enyl]-1,1-difluorocyclopropane
SMILESCCCCC/C=C/C(CC1CC1(F)F)C1(C2CC2CC)CC1
InChIInChI=1S/C20H32F2/c1-3-5-6-7-8-9-16(13-17-14-20(17,21)22)19(10-11-19)18-12-15(18)4-2/h8-9,15-18H,3-7,10-14H2,1-2H3/b9-8+
InChIKeyTYTNSARMZJTJDH-CMDGGOBGSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.47
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[1-(2-ethylcyclopropyl)cyclopropyl]non-3-enyl]-1,1-difluorocyclopropane?
The IUPAC name of 2-[(E)-2-[1-(2-ethylcyclopropyl)cyclopropyl]non-3-enyl]-1,1-difluorocyclopropane (CID 139408521) is 2-[(E)-2-[1-(2-ethylcyclopropyl)cyclopropyl]non-3-enyl]-1,1-difluorocyclopropane.
What is the SMILES notation for 2-[(E)-2-[1-(2-ethylcyclopropyl)cyclopropyl]non-3-enyl]-1,1-difluorocyclopropane?
The canonical SMILES for 2-[(E)-2-[1-(2-ethylcyclopropyl)cyclopropyl]non-3-enyl]-1,1-difluorocyclopropane is CCCCC/C=C/C(CC1CC1(F)F)C1(C2CC2CC)CC1.
What is the InChIKey of 2-[(E)-2-[1-(2-ethylcyclopropyl)cyclopropyl]non-3-enyl]-1,1-difluorocyclopropane?
The InChIKey is TYTNSARMZJTJDH-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H32F2/c1-3-5-6-7-8-9-16(13-17-14-20(17,21)22)19(10-11-19)18-12-15(18)4-2/h8-9,15-18H,3-7,10-14H2,1-2H3/b9-8+.
What are the key properties of 2-[(E)-2-[1-(2-ethylcyclopropyl)cyclopropyl]non-3-enyl]-1,1-difluorocyclopropane?
2-[(E)-2-[1-(2-ethylcyclopropyl)cyclopropyl]non-3-enyl]-1,1-difluorocyclopropane has a molecular weight of 310.47 g/mol, XLogP of 6.61, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[1-(2-ethylcyclopropyl)cyclopropyl]non-3-enyl]-1,1-difluorocyclopropane is sourced from PubChem (CID 139408521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).