1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene

C13H16F2 — CID 168948597

IUPAC1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene
SMILESC=C(CC)C(C)(C)c1c(F)cccc1F
InChIInChI=1S/C13H16F2/c1-5-9(2)13(3,4)12-10(14)7-6-8-11(12)15/h6-8H,2,5H2,1,3-4H3
InChIKeyCYLIIBODISWUJV-UHFFFAOYSA-N
MW210.27 g/mol
LogP4.21
Rot. Bonds3

About 1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene

1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene (PubChem CID 168948597) has the molecular formula C13H16F2 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene.

Molecular Properties

Compound Name1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene
PubChem CID168948597
Molecular FormulaC13H16F2
Molecular Weight210.27 g/mol
Exact Mass210.12
IUPAC Name1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene
SMILESC=C(CC)C(C)(C)c1c(F)cccc1F
InChIInChI=1S/C13H16F2/c1-5-9(2)13(3,4)12-10(14)7-6-8-11(12)15/h6-8H,2,5H2,1,3-4H3
InChIKeyCYLIIBODISWUJV-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 54.21
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

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CID 146429724
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CID 607009
1-(2-tert-butyl-3-fluorophenyl)ethenamine
CID 121406130
4-(2,6-difluorophenyl)heptan-4-ol
CID 114865715
2-(2,6-difluorophenyl)hex-5-en-2-ol
CID 104656171
3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol
CID 82471989
2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid
CID 43803617
2-(2,6-difluorophenyl)-2-(propylamino)propan-1-ol
CID 61053956
(2S)-2-(2,6-difluorophenyl)-2-(ethylamino)propanoic acid
CID 93280142
2-(2,6-difluorophenyl)-2-methylbutanedinitrile
CID 117049545
2-(2,6-difluorophenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 66206579
2-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid
CID 84733376

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene?
The IUPAC name of 1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene (CID 168948597) is 1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene.
What is the SMILES notation for 1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene?
The canonical SMILES for 1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene is C=C(CC)C(C)(C)c1c(F)cccc1F.
What is the InChIKey of 1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene?
The InChIKey is CYLIIBODISWUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2/c1-5-9(2)13(3,4)12-10(14)7-6-8-11(12)15/h6-8H,2,5H2,1,3-4H3.
What are the key properties of 1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene?
1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene has a molecular weight of 210.27 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene is sourced from PubChem (CID 168948597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).