1-(2-fluoropropan-2-yl)-2-(3-methylbutyl)benzene

C14H21F — CID 144693394

IUPAC1-(2-fluoropropan-2-yl)-2-(3-methylbutyl)benzene
SMILESCC(C)CCc1ccccc1C(C)(C)F
InChIInChI=1S/C14H21F/c1-11(2)9-10-12-7-5-6-8-13(12)14(3,4)15/h5-8,11H,9-10H2,1-4H3
InChIKeyCZUZKZLMGQQVLL-UHFFFAOYSA-N
MW208.32 g/mol
LogP4.48
Rot. Bonds4

About 1-(2-fluoropropan-2-yl)-2-(3-methylbutyl)benzene

1-(2-fluoropropan-2-yl)-2-(3-methylbutyl)benzene (PubChem CID 144693394) has the molecular formula C14H21F and a molecular weight of 208.32 g/mol. Its IUPAC name is 1-(2-fluoropropan-2-yl)-2-(3-methylbutyl)benzene.

Molecular Properties

Compound Name1-(2-fluoropropan-2-yl)-2-(3-methylbutyl)benzene
PubChem CID144693394
Molecular FormulaC14H21F
Molecular Weight208.32 g/mol
Exact Mass208.16
IUPAC Name1-(2-fluoropropan-2-yl)-2-(3-methylbutyl)benzene
SMILESCC(C)CCc1ccccc1C(C)(C)F
InChIInChI=1S/C14H21F/c1-11(2)9-10-12-7-5-6-8-13(12)14(3,4)15/h5-8,11H,9-10H2,1-4H3
InChIKeyCZUZKZLMGQQVLL-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 54775947
3-[2-(2-fluoropropan-2-yl)phenyl]propanoic acid
CID 84677751
4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol
CID 64514191
1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine
CID 117379867
1-(3-methylbutyl)-2-propan-2-ylbenzene
CID 18417614
sodium 2-(3-methylbutyl)benzenesulfonate
CID 156759154
3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117349418
ethane;2-(3-methylbutyl)aniline
CID 143042088
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 64504717
1-(3-methylbutoxymethyl)-2-(trifluoromethyl)benzene
CID 91723334
2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid
CID 151744228

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropropan-2-yl)-2-(3-methylbutyl)benzene?
The IUPAC name of 1-(2-fluoropropan-2-yl)-2-(3-methylbutyl)benzene (CID 144693394) is 1-(2-fluoropropan-2-yl)-2-(3-methylbutyl)benzene.
What is the SMILES notation for 1-(2-fluoropropan-2-yl)-2-(3-methylbutyl)benzene?
The canonical SMILES for 1-(2-fluoropropan-2-yl)-2-(3-methylbutyl)benzene is CC(C)CCc1ccccc1C(C)(C)F.
What is the InChIKey of 1-(2-fluoropropan-2-yl)-2-(3-methylbutyl)benzene?
The InChIKey is CZUZKZLMGQQVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F/c1-11(2)9-10-12-7-5-6-8-13(12)14(3,4)15/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 1-(2-fluoropropan-2-yl)-2-(3-methylbutyl)benzene?
1-(2-fluoropropan-2-yl)-2-(3-methylbutyl)benzene has a molecular weight of 208.32 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropropan-2-yl)-2-(3-methylbutyl)benzene is sourced from PubChem (CID 144693394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).