fluoroethane;3-methylbuta-1,2-diene

C7H13F — CID 143722079

IUPACfluoroethane;3-methylbuta-1,2-diene
SMILESC=C=C(C)C.CCF
InChIInChI=1S/C5H8.C2H5F/c1-4-5(2)3;1-2-3/h1H2,2-3H3;2H2,1H3
InChIKeyOPNYFZHBHNRGLV-UHFFFAOYSA-N
MW116.18 g/mol
LogP2.71
Rot. Bonds

About fluoroethane;3-methylbuta-1,2-diene

fluoroethane;3-methylbuta-1,2-diene (PubChem CID 143722079) has the molecular formula C7H13F and a molecular weight of 116.18 g/mol. Its IUPAC name is fluoroethane;3-methylbuta-1,2-diene.

Molecular Properties

Compound Namefluoroethane;3-methylbuta-1,2-diene
PubChem CID143722079
Molecular FormulaC7H13F
Molecular Weight116.18 g/mol
Exact Mass116.10
IUPAC Namefluoroethane;3-methylbuta-1,2-diene
SMILESC=C=C(C)C.CCF
InChIInChI=1S/C5H8.C2H5F/c1-4-5(2)3;1-2-3/h1H2,2-3H3;2H2,1H3
InChIKeyOPNYFZHBHNRGLV-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

butane-1,4-diol;3-methylbuta-1,2-diene
CID 174287039
1-fluoropropane;propa-1,2-diene
CID 174917673
fluoroethane;trihydrochloride
CID 172790972
butane;3-methylhexa-1,2-diene
CID 145158115
2-methylbuta-2,3-dien-1-ol
CID 12502940
N-buta-2,3-dien-2-ylmethanimine
CID 123979076
(3R)-4-methylhexa-4,5-dien-3-ol
CID 11029792
CID 173162991
CID 173162991
3-methylocta-1,2-dien-4-amine
CID 55285036
methane;propa-1,2-diene;propane
CID 160788212
butane;fluoroethane;propane
CID 171505953
lithium;3,4-difluorobuta-1,2-diene;hydride
CID 174951688

Frequently Asked Questions

What is the IUPAC name of fluoroethane;3-methylbuta-1,2-diene?
The IUPAC name of fluoroethane;3-methylbuta-1,2-diene (CID 143722079) is fluoroethane;3-methylbuta-1,2-diene.
What is the SMILES notation for fluoroethane;3-methylbuta-1,2-diene?
The canonical SMILES for fluoroethane;3-methylbuta-1,2-diene is C=C=C(C)C.CCF.
What is the InChIKey of fluoroethane;3-methylbuta-1,2-diene?
The InChIKey is OPNYFZHBHNRGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8.C2H5F/c1-4-5(2)3;1-2-3/h1H2,2-3H3;2H2,1H3.
What are the key properties of fluoroethane;3-methylbuta-1,2-diene?
fluoroethane;3-methylbuta-1,2-diene has a molecular weight of 116.18 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroethane;3-methylbuta-1,2-diene is sourced from PubChem (CID 143722079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).