1-fluoro-2-[(4-fluorocyclohexylidene)methyl]benzene

C13H14F2 — CID 121281352

IUPAC1-fluoro-2-[(4-fluorocyclohexylidene)methyl]benzene
SMILESFc1ccccc1C=C1CCC(F)CC1
InChIInChI=1S/C13H14F2/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h1-4,9,12H,5-8H2/b10-9-
InChIKeyKLYHBBIAGLDLQU-KTKRTIGZSA-N
MW208.25 g/mol
LogP4.12
Rot. Bonds1

About 1-fluoro-2-[(4-fluorocyclohexylidene)methyl]benzene

1-fluoro-2-[(4-fluorocyclohexylidene)methyl]benzene (PubChem CID 121281352) has the molecular formula C13H14F2 and a molecular weight of 208.25 g/mol. Its IUPAC name is 1-fluoro-2-[(4-fluorocyclohexylidene)methyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[(4-fluorocyclohexylidene)methyl]benzene
PubChem CID121281352
Molecular FormulaC13H14F2
Molecular Weight208.25 g/mol
Exact Mass208.11
IUPAC Name1-fluoro-2-[(4-fluorocyclohexylidene)methyl]benzene
SMILESFc1ccccc1C=C1CCC(F)CC1
InChIInChI=1S/C13H14F2/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h1-4,9,12H,5-8H2/b10-9-
InChIKeyKLYHBBIAGLDLQU-KTKRTIGZSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(4-fluorocyclohexylidene)methyl]benzene?
The IUPAC name of 1-fluoro-2-[(4-fluorocyclohexylidene)methyl]benzene (CID 121281352) is 1-fluoro-2-[(4-fluorocyclohexylidene)methyl]benzene.
What is the SMILES notation for 1-fluoro-2-[(4-fluorocyclohexylidene)methyl]benzene?
The canonical SMILES for 1-fluoro-2-[(4-fluorocyclohexylidene)methyl]benzene is Fc1ccccc1C=C1CCC(F)CC1.
What is the InChIKey of 1-fluoro-2-[(4-fluorocyclohexylidene)methyl]benzene?
The InChIKey is KLYHBBIAGLDLQU-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H14F2/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h1-4,9,12H,5-8H2/b10-9-.
What are the key properties of 1-fluoro-2-[(4-fluorocyclohexylidene)methyl]benzene?
1-fluoro-2-[(4-fluorocyclohexylidene)methyl]benzene has a molecular weight of 208.25 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(4-fluorocyclohexylidene)methyl]benzene is sourced from PubChem (CID 121281352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).