(2-butyl-1,1-difluorooctyl)cyclopropane

C15H28F2 — CID 170133403

IUPAC(2-butyl-1,1-difluorooctyl)cyclopropane
SMILESCCCCCCC(CCCC)C(F)(F)C1CC1
InChIInChI=1S/C15H28F2/c1-3-5-7-8-10-13(9-6-4-2)15(16,17)14-11-12-14/h13-14H,3-12H2,1-2H3
InChIKeyQWJXNPNZFVDWOY-UHFFFAOYSA-N
MW246.38 g/mol
LogP5.81
Rot. Bonds10

About (2-butyl-1,1-difluorooctyl)cyclopropane

(2-butyl-1,1-difluorooctyl)cyclopropane (PubChem CID 170133403) has the molecular formula C15H28F2 and a molecular weight of 246.38 g/mol. Its IUPAC name is (2-butyl-1,1-difluorooctyl)cyclopropane.

Molecular Properties

Compound Name(2-butyl-1,1-difluorooctyl)cyclopropane
PubChem CID170133403
Molecular FormulaC15H28F2
Molecular Weight246.38 g/mol
Exact Mass246.22
IUPAC Name(2-butyl-1,1-difluorooctyl)cyclopropane
SMILESCCCCCCC(CCCC)C(F)(F)C1CC1
InChIInChI=1S/C15H28F2/c1-3-5-7-8-10-13(9-6-4-2)15(16,17)14-11-12-14/h13-14H,3-12H2,1-2H3
InChIKeyQWJXNPNZFVDWOY-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.38
LogP ≤ 55.81
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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Related Compounds

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ethane;1-methyl-4-(2-methyl-3-propyloctan-2-yl)cyclohexane
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5,6-dibutylicosan-5-ylazanium bromide
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11,11,12,13,14,15,15-heptafluoro-10,16-di(nonyl)-12,13,14-tris(trifluoromethyl)pentacosane
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2-fluoro-3-octyl-2-undecyltetradecanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2-butyl-1,1-difluorooctyl)cyclopropane?
The IUPAC name of (2-butyl-1,1-difluorooctyl)cyclopropane (CID 170133403) is (2-butyl-1,1-difluorooctyl)cyclopropane.
What is the SMILES notation for (2-butyl-1,1-difluorooctyl)cyclopropane?
The canonical SMILES for (2-butyl-1,1-difluorooctyl)cyclopropane is CCCCCCC(CCCC)C(F)(F)C1CC1.
What is the InChIKey of (2-butyl-1,1-difluorooctyl)cyclopropane?
The InChIKey is QWJXNPNZFVDWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2/c1-3-5-7-8-10-13(9-6-4-2)15(16,17)14-11-12-14/h13-14H,3-12H2,1-2H3.
What are the key properties of (2-butyl-1,1-difluorooctyl)cyclopropane?
(2-butyl-1,1-difluorooctyl)cyclopropane has a molecular weight of 246.38 g/mol, XLogP of 5.81, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-1,1-difluorooctyl)cyclopropane is sourced from PubChem (CID 170133403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).