2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene

C14H21F — CID 139403851

IUPAC2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(F)c(C(C)(C)C)c1
InChIInChI=1S/C14H21F/c1-10(2)8-11-6-7-13(15)12(9-11)14(3,4)5/h6-7,9-10H,8H2,1-5H3
InChIKeyVWDYLERTTUSDFU-UHFFFAOYSA-N
MW208.32 g/mol
LogP4.32
Rot. Bonds2

About 2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene

2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene (PubChem CID 139403851) has the molecular formula C14H21F and a molecular weight of 208.32 g/mol. Its IUPAC name is 2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene
PubChem CID139403851
Molecular FormulaC14H21F
Molecular Weight208.32 g/mol
Exact Mass208.16
IUPAC Name2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(F)c(C(C)(C)C)c1
InChIInChI=1S/C14H21F/c1-10(2)8-11-6-7-13(15)12(9-11)14(3,4)5/h6-7,9-10H,8H2,1-5H3
InChIKeyVWDYLERTTUSDFU-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-1-fluoro-4-propylbenzene
CID 139403848
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401
4-(3-tert-butyl-4-fluorophenyl)-2-methylbutan-2-amine
CID 90210068
4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 163781390
2,6-ditert-butyl-4-(2-methylpropyl)phenol
CID 161371021
(2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol
CID 90210106
1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene
CID 155445804
1-fluoro-2-isocyano-4-(2-methylpropyl)benzene
CID 59379768
2-tert-butyl-4-chloro-1-fluorobenzene
CID 58745497
3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 107290244
[2-fluoro-4-(2-methylpropyl)phenyl]methanamine
CID 63887126
2-fluoro-4-(2-methylpropyl)-1-propylbenzene
CID 58333438

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene?
The IUPAC name of 2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene (CID 139403851) is 2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene.
What is the SMILES notation for 2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene?
The canonical SMILES for 2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene is CC(C)Cc1ccc(F)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene?
The InChIKey is VWDYLERTTUSDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F/c1-10(2)8-11-6-7-13(15)12(9-11)14(3,4)5/h6-7,9-10H,8H2,1-5H3.
What are the key properties of 2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene?
2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene has a molecular weight of 208.32 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene is sourced from PubChem (CID 139403851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).