2-chloro-6-cyclopropyl-1-fluorocyclohexa-1,3-diene

C9H10ClF — CID 123736059

IUPAC2-chloro-6-cyclopropyl-1-fluorocyclohexa-1,3-diene
SMILESFC1=C(Cl)C=CCC1C1CC1
InChIInChI=1S/C9H10ClF/c10-8-3-1-2-7(9(8)11)6-4-5-6/h1,3,6-7H,2,4-5H2
InChIKeyOWRLYSYEKYDKAQ-UHFFFAOYSA-N
MW172.63 g/mol
LogP3.39
Rot. Bonds1

About 2-chloro-6-cyclopropyl-1-fluorocyclohexa-1,3-diene

2-chloro-6-cyclopropyl-1-fluorocyclohexa-1,3-diene (PubChem CID 123736059) has the molecular formula C9H10ClF and a molecular weight of 172.63 g/mol. Its IUPAC name is 2-chloro-6-cyclopropyl-1-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name2-chloro-6-cyclopropyl-1-fluorocyclohexa-1,3-diene
PubChem CID123736059
Molecular FormulaC9H10ClF
Molecular Weight172.63 g/mol
Exact Mass172.05
IUPAC Name2-chloro-6-cyclopropyl-1-fluorocyclohexa-1,3-diene
SMILESFC1=C(Cl)C=CCC1C1CC1
InChIInChI=1S/C9H10ClF/c10-8-3-1-2-7(9(8)11)6-4-5-6/h1,3,6-7H,2,4-5H2
InChIKeyOWRLYSYEKYDKAQ-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.63
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyclopropyl-1-fluorocyclohexa-1,3-diene?
The IUPAC name of 2-chloro-6-cyclopropyl-1-fluorocyclohexa-1,3-diene (CID 123736059) is 2-chloro-6-cyclopropyl-1-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 2-chloro-6-cyclopropyl-1-fluorocyclohexa-1,3-diene?
The canonical SMILES for 2-chloro-6-cyclopropyl-1-fluorocyclohexa-1,3-diene is FC1=C(Cl)C=CCC1C1CC1.
What is the InChIKey of 2-chloro-6-cyclopropyl-1-fluorocyclohexa-1,3-diene?
The InChIKey is OWRLYSYEKYDKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF/c10-8-3-1-2-7(9(8)11)6-4-5-6/h1,3,6-7H,2,4-5H2.
What are the key properties of 2-chloro-6-cyclopropyl-1-fluorocyclohexa-1,3-diene?
2-chloro-6-cyclopropyl-1-fluorocyclohexa-1,3-diene has a molecular weight of 172.63 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclopropyl-1-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 123736059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).