2-tert-butyl-1-fluoro-3-(2-methylprop-1-enyl)benzene

C14H19F — CID 168724757

IUPAC2-tert-butyl-1-fluoro-3-(2-methylprop-1-enyl)benzene
SMILESCC(C)=Cc1cccc(F)c1C(C)(C)C
InChIInChI=1S/C14H19F/c1-10(2)9-11-7-6-8-12(15)13(11)14(3,4)5/h6-9H,1-5H3
InChIKeyWKTJMKSWFSQWEW-UHFFFAOYSA-N
MW206.30 g/mol
LogP4.55
Rot. Bonds1

About 2-tert-butyl-1-fluoro-3-(2-methylprop-1-enyl)benzene

2-tert-butyl-1-fluoro-3-(2-methylprop-1-enyl)benzene (PubChem CID 168724757) has the molecular formula C14H19F and a molecular weight of 206.30 g/mol. Its IUPAC name is 2-tert-butyl-1-fluoro-3-(2-methylprop-1-enyl)benzene.

Molecular Properties

Compound Name2-tert-butyl-1-fluoro-3-(2-methylprop-1-enyl)benzene
PubChem CID168724757
Molecular FormulaC14H19F
Molecular Weight206.30 g/mol
Exact Mass206.15
IUPAC Name2-tert-butyl-1-fluoro-3-(2-methylprop-1-enyl)benzene
SMILESCC(C)=Cc1cccc(F)c1C(C)(C)C
InChIInChI=1S/C14H19F/c1-10(2)9-11-7-6-8-12(15)13(11)14(3,4)5/h6-9H,1-5H3
InChIKeyWKTJMKSWFSQWEW-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2-tert-butyl-3-fluorophenoxy)-dihydroxy-methylidene-λ5-phosphane
CID 122606424
1-(2-tert-butyl-3-fluorophenyl)ethenamine
CID 121406130
2-tert-butyl-3-fluorobenzamide
CID 118328410
(NE)-N-[2-(2,6-difluorophenyl)-2-methylpropylidene]hydroxylamine
CID 170017589
2-(2-methylprop-1-enyl)benzenethiol
CID 90136513
2-tert-butyl-1-fluoro-3-(1,1,3,3,3-pentadeuterioprop-1-en-2-yl)benzene
CID 168724784
2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine
CID 117288826
benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene
CID 144639766
ethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene
CID 143654751
2-(2,6-difluorophenyl)hex-5-en-2-ol
CID 104656171
1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene
CID 168948597
(Z)-2-azido-3-[3-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 155342670

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-fluoro-3-(2-methylprop-1-enyl)benzene?
The IUPAC name of 2-tert-butyl-1-fluoro-3-(2-methylprop-1-enyl)benzene (CID 168724757) is 2-tert-butyl-1-fluoro-3-(2-methylprop-1-enyl)benzene.
What is the SMILES notation for 2-tert-butyl-1-fluoro-3-(2-methylprop-1-enyl)benzene?
The canonical SMILES for 2-tert-butyl-1-fluoro-3-(2-methylprop-1-enyl)benzene is CC(C)=Cc1cccc(F)c1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-fluoro-3-(2-methylprop-1-enyl)benzene?
The InChIKey is WKTJMKSWFSQWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F/c1-10(2)9-11-7-6-8-12(15)13(11)14(3,4)5/h6-9H,1-5H3.
What are the key properties of 2-tert-butyl-1-fluoro-3-(2-methylprop-1-enyl)benzene?
2-tert-butyl-1-fluoro-3-(2-methylprop-1-enyl)benzene has a molecular weight of 206.30 g/mol, XLogP of 4.55, 1 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-3-(2-methylprop-1-enyl)benzene is sourced from PubChem (CID 168724757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).