1-[2-(7-chloro-6-fluoro-2-methyloctan-2-yl)cyclopropyl]ethanone

C14H24ClFO — CID 134441468

IUPAC1-[2-(7-chloro-6-fluoro-2-methyloctan-2-yl)cyclopropyl]ethanone
SMILESCC(=O)C1CC1C(C)(C)CCCC(F)C(C)Cl
InChIInChI=1S/C14H24ClFO/c1-9(15)13(16)6-5-7-14(3,4)12-8-11(12)10(2)17/h9,11-13H,5-8H2,1-4H3
InChIKeyGAUJEKRFYVFZNP-UHFFFAOYSA-N
MW262.80 g/mol
LogP4.37
Rot. Bonds7

About 1-[2-(7-chloro-6-fluoro-2-methyloctan-2-yl)cyclopropyl]ethanone

1-[2-(7-chloro-6-fluoro-2-methyloctan-2-yl)cyclopropyl]ethanone (PubChem CID 134441468) has the molecular formula C14H24ClFO and a molecular weight of 262.80 g/mol. Its IUPAC name is 1-[2-(7-chloro-6-fluoro-2-methyloctan-2-yl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2-(7-chloro-6-fluoro-2-methyloctan-2-yl)cyclopropyl]ethanone
PubChem CID134441468
Molecular FormulaC14H24ClFO
Molecular Weight262.80 g/mol
Exact Mass262.15
IUPAC Name1-[2-(7-chloro-6-fluoro-2-methyloctan-2-yl)cyclopropyl]ethanone
SMILESCC(=O)C1CC1C(C)(C)CCCC(F)C(C)Cl
InChIInChI=1S/C14H24ClFO/c1-9(15)13(16)6-5-7-14(3,4)12-8-11(12)10(2)17/h9,11-13H,5-8H2,1-4H3
InChIKeyGAUJEKRFYVFZNP-UHFFFAOYSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.80
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-chloro-6-fluoro-2-methyloctan-2-yl)cyclopropyl]ethanone?
The IUPAC name of 1-[2-(7-chloro-6-fluoro-2-methyloctan-2-yl)cyclopropyl]ethanone (CID 134441468) is 1-[2-(7-chloro-6-fluoro-2-methyloctan-2-yl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[2-(7-chloro-6-fluoro-2-methyloctan-2-yl)cyclopropyl]ethanone?
The canonical SMILES for 1-[2-(7-chloro-6-fluoro-2-methyloctan-2-yl)cyclopropyl]ethanone is CC(=O)C1CC1C(C)(C)CCCC(F)C(C)Cl.
What is the InChIKey of 1-[2-(7-chloro-6-fluoro-2-methyloctan-2-yl)cyclopropyl]ethanone?
The InChIKey is GAUJEKRFYVFZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClFO/c1-9(15)13(16)6-5-7-14(3,4)12-8-11(12)10(2)17/h9,11-13H,5-8H2,1-4H3.
What are the key properties of 1-[2-(7-chloro-6-fluoro-2-methyloctan-2-yl)cyclopropyl]ethanone?
1-[2-(7-chloro-6-fluoro-2-methyloctan-2-yl)cyclopropyl]ethanone has a molecular weight of 262.80 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-chloro-6-fluoro-2-methyloctan-2-yl)cyclopropyl]ethanone is sourced from PubChem (CID 134441468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).