4-(fluoromethyl)hexa-1,2-diene

C7H11F — CID 174837986

IUPAC4-(fluoromethyl)hexa-1,2-diene
SMILESC=C=CC(CC)CF
InChIInChI=1S/C7H11F/c1-3-5-7(4-2)6-8/h5,7H,1,4,6H2,2H3
InChIKeyWMGTVPYGVMGMAW-UHFFFAOYSA-N
MW114.16 g/mol
LogP2.32
Rot. Bonds3

About 4-(fluoromethyl)hexa-1,2-diene

4-(fluoromethyl)hexa-1,2-diene (PubChem CID 174837986) has the molecular formula C7H11F and a molecular weight of 114.16 g/mol. Its IUPAC name is 4-(fluoromethyl)hexa-1,2-diene.

Molecular Properties

Compound Name4-(fluoromethyl)hexa-1,2-diene
PubChem CID174837986
Molecular FormulaC7H11F
Molecular Weight114.16 g/mol
Exact Mass114.08
IUPAC Name4-(fluoromethyl)hexa-1,2-diene
SMILESC=C=CC(CC)CF
InChIInChI=1S/C7H11F/c1-3-5-7(4-2)6-8/h5,7H,1,4,6H2,2H3
InChIKeyWMGTVPYGVMGMAW-UHFFFAOYSA-N
XLogP2.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.16
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)hexa-1,2-diene?
The IUPAC name of 4-(fluoromethyl)hexa-1,2-diene (CID 174837986) is 4-(fluoromethyl)hexa-1,2-diene.
What is the SMILES notation for 4-(fluoromethyl)hexa-1,2-diene?
The canonical SMILES for 4-(fluoromethyl)hexa-1,2-diene is C=C=CC(CC)CF.
What is the InChIKey of 4-(fluoromethyl)hexa-1,2-diene?
The InChIKey is WMGTVPYGVMGMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F/c1-3-5-7(4-2)6-8/h5,7H,1,4,6H2,2H3.
What are the key properties of 4-(fluoromethyl)hexa-1,2-diene?
4-(fluoromethyl)hexa-1,2-diene has a molecular weight of 114.16 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)hexa-1,2-diene is sourced from PubChem (CID 174837986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).