1,1-dichloro-2,2-difluoro-3-hexylcyclopropane

C9H14Cl2F2 — CID 101056233

IUPAC1,1-dichloro-2,2-difluoro-3-hexylcyclopropane
SMILESCCCCCCC1C(F)(F)C1(Cl)Cl
InChIInChI=1S/C9H14Cl2F2/c1-2-3-4-5-6-7-8(10,11)9(7,12)13/h7H,2-6H2,1H3
InChIKeyKDPZFEHUFMGLNV-UHFFFAOYSA-N
MW231.11 g/mol
LogP4.40
Rot. Bonds5

About 1,1-dichloro-2,2-difluoro-3-hexylcyclopropane

1,1-dichloro-2,2-difluoro-3-hexylcyclopropane (PubChem CID 101056233) has the molecular formula C9H14Cl2F2 and a molecular weight of 231.11 g/mol. Its IUPAC name is 1,1-dichloro-2,2-difluoro-3-hexylcyclopropane.

Molecular Properties

Compound Name1,1-dichloro-2,2-difluoro-3-hexylcyclopropane
PubChem CID101056233
Molecular FormulaC9H14Cl2F2
Molecular Weight231.11 g/mol
Exact Mass230.04
IUPAC Name1,1-dichloro-2,2-difluoro-3-hexylcyclopropane
SMILESCCCCCCC1C(F)(F)C1(Cl)Cl
InChIInChI=1S/C9H14Cl2F2/c1-2-3-4-5-6-7-8(10,11)9(7,12)13/h7H,2-6H2,1H3
InChIKeyKDPZFEHUFMGLNV-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2,2-difluoro-3-hexylcyclopropane?
The IUPAC name of 1,1-dichloro-2,2-difluoro-3-hexylcyclopropane (CID 101056233) is 1,1-dichloro-2,2-difluoro-3-hexylcyclopropane.
What is the SMILES notation for 1,1-dichloro-2,2-difluoro-3-hexylcyclopropane?
The canonical SMILES for 1,1-dichloro-2,2-difluoro-3-hexylcyclopropane is CCCCCCC1C(F)(F)C1(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2,2-difluoro-3-hexylcyclopropane?
The InChIKey is KDPZFEHUFMGLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2F2/c1-2-3-4-5-6-7-8(10,11)9(7,12)13/h7H,2-6H2,1H3.
What are the key properties of 1,1-dichloro-2,2-difluoro-3-hexylcyclopropane?
1,1-dichloro-2,2-difluoro-3-hexylcyclopropane has a molecular weight of 231.11 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2,2-difluoro-3-hexylcyclopropane is sourced from PubChem (CID 101056233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).