4-fluoro-1,2-bis(prop-1-en-2-yl)benzene

C12H13F — CID 139356848

IUPAC4-fluoro-1,2-bis(prop-1-en-2-yl)benzene
SMILESC=C(C)c1ccc(F)cc1C(=C)C
InChIInChI=1S/C12H13F/c1-8(2)11-6-5-10(13)7-12(11)9(3)4/h5-7H,1,3H2,2,4H3
InChIKeyJVBIZUJWDYQCAW-UHFFFAOYSA-N
MW176.23 g/mol
LogP3.89
Rot. Bonds2

About 4-fluoro-1,2-bis(prop-1-en-2-yl)benzene

4-fluoro-1,2-bis(prop-1-en-2-yl)benzene (PubChem CID 139356848) has the molecular formula C12H13F and a molecular weight of 176.23 g/mol. Its IUPAC name is 4-fluoro-1,2-bis(prop-1-en-2-yl)benzene.

Molecular Properties

Compound Name4-fluoro-1,2-bis(prop-1-en-2-yl)benzene
PubChem CID139356848
Molecular FormulaC12H13F
Molecular Weight176.23 g/mol
Exact Mass176.10
IUPAC Name4-fluoro-1,2-bis(prop-1-en-2-yl)benzene
SMILESC=C(C)c1ccc(F)cc1C(=C)C
InChIInChI=1S/C12H13F/c1-8(2)11-6-5-10(13)7-12(11)9(3)4/h5-7H,1,3H2,2,4H3
InChIKeyJVBIZUJWDYQCAW-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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5-fluoro-2-prop-1-en-2-ylaniline
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ethane;N-(5-fluoro-2-prop-1-en-2-ylphenyl)methanimine
CID 157040724
N-(4-fluoro-2-prop-1-en-2-ylphenyl)methanimine
CID 153370465
4-[3,4-bis(prop-1-en-2-yl)phenyl]-1,2-bis(prop-1-en-2-yl)benzene
CID 176568889
1,2,4-tris(prop-1-en-2-yl)benzene
CID 11194966
4-butyl-N-[1-(5-fluoro-2-prop-1-en-2-ylphenyl)ethenyl]aniline
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,2-bis(prop-1-en-2-yl)benzene?
The IUPAC name of 4-fluoro-1,2-bis(prop-1-en-2-yl)benzene (CID 139356848) is 4-fluoro-1,2-bis(prop-1-en-2-yl)benzene.
What is the SMILES notation for 4-fluoro-1,2-bis(prop-1-en-2-yl)benzene?
The canonical SMILES for 4-fluoro-1,2-bis(prop-1-en-2-yl)benzene is C=C(C)c1ccc(F)cc1C(=C)C.
What is the InChIKey of 4-fluoro-1,2-bis(prop-1-en-2-yl)benzene?
The InChIKey is JVBIZUJWDYQCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F/c1-8(2)11-6-5-10(13)7-12(11)9(3)4/h5-7H,1,3H2,2,4H3.
What are the key properties of 4-fluoro-1,2-bis(prop-1-en-2-yl)benzene?
4-fluoro-1,2-bis(prop-1-en-2-yl)benzene has a molecular weight of 176.23 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,2-bis(prop-1-en-2-yl)benzene is sourced from PubChem (CID 139356848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).