6-butan-2-yl-1-chloro-3-fluorocyclohexene

C10H16ClF — CID 142155770

IUPAC6-butan-2-yl-1-chloro-3-fluorocyclohexene
SMILESCCC(C)C1CCC(F)C=C1Cl
InChIInChI=1S/C10H16ClF/c1-3-7(2)9-5-4-8(12)6-10(9)11/h6-9H,3-5H2,1-2H3
InChIKeyMHIHOLFSKUKOJT-UHFFFAOYSA-N
MW190.69 g/mol
LogP3.90
Rot. Bonds2

About 6-butan-2-yl-1-chloro-3-fluorocyclohexene

6-butan-2-yl-1-chloro-3-fluorocyclohexene (PubChem CID 142155770) has the molecular formula C10H16ClF and a molecular weight of 190.69 g/mol. Its IUPAC name is 6-butan-2-yl-1-chloro-3-fluorocyclohexene.

Molecular Properties

Compound Name6-butan-2-yl-1-chloro-3-fluorocyclohexene
PubChem CID142155770
Molecular FormulaC10H16ClF
Molecular Weight190.69 g/mol
Exact Mass190.09
IUPAC Name6-butan-2-yl-1-chloro-3-fluorocyclohexene
SMILESCCC(C)C1CCC(F)C=C1Cl
InChIInChI=1S/C10H16ClF/c1-3-7(2)9-5-4-8(12)6-10(9)11/h6-9H,3-5H2,1-2H3
InChIKeyMHIHOLFSKUKOJT-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.69
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-1-chloro-3-fluorocyclohexene?
The IUPAC name of 6-butan-2-yl-1-chloro-3-fluorocyclohexene (CID 142155770) is 6-butan-2-yl-1-chloro-3-fluorocyclohexene.
What is the SMILES notation for 6-butan-2-yl-1-chloro-3-fluorocyclohexene?
The canonical SMILES for 6-butan-2-yl-1-chloro-3-fluorocyclohexene is CCC(C)C1CCC(F)C=C1Cl.
What is the InChIKey of 6-butan-2-yl-1-chloro-3-fluorocyclohexene?
The InChIKey is MHIHOLFSKUKOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF/c1-3-7(2)9-5-4-8(12)6-10(9)11/h6-9H,3-5H2,1-2H3.
What are the key properties of 6-butan-2-yl-1-chloro-3-fluorocyclohexene?
6-butan-2-yl-1-chloro-3-fluorocyclohexene has a molecular weight of 190.69 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-1-chloro-3-fluorocyclohexene is sourced from PubChem (CID 142155770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).