1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene

C20H25F3 — CID 157379401

IUPAC1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(F)c(F)c1.CC(C)Cc1ccc(F)cc1
InChIInChI=1S/C10H12F2.C10H13F/c1-7(2)5-8-3-4-9(11)10(12)6-8;1-8(2)7-9-3-5-10(11)6-4-9/h3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3
InChIKeyBKRSXIIYURGWIK-UHFFFAOYSA-N
MW322.41 g/mol
LogP6.19
Rot. Bonds4

About 1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene

1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene (PubChem CID 157379401) has the molecular formula C20H25F3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
PubChem CID157379401
Molecular FormulaC20H25F3
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(F)c(F)c1.CC(C)Cc1ccc(F)cc1
InChIInChI=1S/C10H12F2.C10H13F/c1-7(2)5-8-3-4-9(11)10(12)6-8;1-8(2)7-9-3-5-10(11)6-4-9/h3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3
InChIKeyBKRSXIIYURGWIK-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 82909863
1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480546
2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene
CID 139403851
[2-fluoro-4-(2-methylpropyl)phenyl]methanamine
CID 63887126
1,2-difluoro-4-(2-methylpentyl)benzene
CID 143267689
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 63008182
3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 82930179
1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone
CID 165436365
[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]hydrazine
CID 105192789
1-fluoro-2-isocyano-4-(2-methylpropyl)benzene
CID 59379768
1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol
CID 103456481

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene?
The IUPAC name of 1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene (CID 157379401) is 1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene?
The canonical SMILES for 1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene is CC(C)Cc1ccc(F)c(F)c1.CC(C)Cc1ccc(F)cc1.
What is the InChIKey of 1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene?
The InChIKey is BKRSXIIYURGWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2.C10H13F/c1-7(2)5-8-3-4-9(11)10(12)6-8;1-8(2)7-9-3-5-10(11)6-4-9/h3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3.
What are the key properties of 1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene?
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene has a molecular weight of 322.41 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene is sourced from PubChem (CID 157379401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).