1,3-difluoro-5-(3-methylbut-3-en-2-yl)benzene

C11H12F2 — CID 144850859

IUPAC1,3-difluoro-5-(3-methylbut-3-en-2-yl)benzene
SMILESC=C(C)C(C)c1cc(F)cc(F)c1
InChIInChI=1S/C11H12F2/c1-7(2)8(3)9-4-10(12)6-11(13)5-9/h4-6,8H,1H2,2-3H3
InChIKeyVIZMLIBCKXTFGH-UHFFFAOYSA-N
MW182.21 g/mol
LogP3.64
Rot. Bonds2

About 1,3-difluoro-5-(3-methylbut-3-en-2-yl)benzene

1,3-difluoro-5-(3-methylbut-3-en-2-yl)benzene (PubChem CID 144850859) has the molecular formula C11H12F2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 1,3-difluoro-5-(3-methylbut-3-en-2-yl)benzene.

Molecular Properties

Compound Name1,3-difluoro-5-(3-methylbut-3-en-2-yl)benzene
PubChem CID144850859
Molecular FormulaC11H12F2
Molecular Weight182.21 g/mol
Exact Mass182.09
IUPAC Name1,3-difluoro-5-(3-methylbut-3-en-2-yl)benzene
SMILESC=C(C)C(C)c1cc(F)cc(F)c1
InChIInChI=1S/C11H12F2/c1-7(2)8(3)9-4-10(12)6-11(13)5-9/h4-6,8H,1H2,2-3H3
InChIKeyVIZMLIBCKXTFGH-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylbut-3-en-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 142096836
(1R)-1-(3,5-difluorophenyl)-3-methylbut-3-en-1-amine
CID 131002323
1-(3,5-difluorophenyl)-4-methylpent-4-en-1-amine
CID 114474387
(3,5-difluorophenyl)methanediol
CID 142893041
1-amino-1-(3,5-difluorophenyl)propan-2-one
CID 55271172
1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone
CID 158070226
5-[(2R)-3-methylbut-3-en-2-yl]pyridin-3-amine
CID 176664173
acetic acid;1,3,5-trifluorobenzene
CID 162178148
N-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine
CID 97051252
N-[1-(3,5-difluorophenyl)ethyl]but-3-yn-2-amine
CID 114415397
carboxy-[1-(3,5-difluorophenyl)ethyl]carbamic acid
CID 66955357
N-[(1S)-1-(3,5-difluorophenyl)ethyl]prop-2-enamide
CID 167781770

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-(3-methylbut-3-en-2-yl)benzene?
The IUPAC name of 1,3-difluoro-5-(3-methylbut-3-en-2-yl)benzene (CID 144850859) is 1,3-difluoro-5-(3-methylbut-3-en-2-yl)benzene.
What is the SMILES notation for 1,3-difluoro-5-(3-methylbut-3-en-2-yl)benzene?
The canonical SMILES for 1,3-difluoro-5-(3-methylbut-3-en-2-yl)benzene is C=C(C)C(C)c1cc(F)cc(F)c1.
What is the InChIKey of 1,3-difluoro-5-(3-methylbut-3-en-2-yl)benzene?
The InChIKey is VIZMLIBCKXTFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2/c1-7(2)8(3)9-4-10(12)6-11(13)5-9/h4-6,8H,1H2,2-3H3.
What are the key properties of 1,3-difluoro-5-(3-methylbut-3-en-2-yl)benzene?
1,3-difluoro-5-(3-methylbut-3-en-2-yl)benzene has a molecular weight of 182.21 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-(3-methylbut-3-en-2-yl)benzene is sourced from PubChem (CID 144850859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).