1-fluoro-4-(2-methylbutyl)-2-propan-2-yloxybenzene

C14H21FO — CID 70850763

IUPAC1-fluoro-4-(2-methylbutyl)-2-propan-2-yloxybenzene
SMILESCCC(C)Cc1ccc(F)c(OC(C)C)c1
InChIInChI=1S/C14H21FO/c1-5-11(4)8-12-6-7-13(15)14(9-12)16-10(2)3/h6-7,9-11H,5,8H2,1-4H3
InChIKeyGUSVECIVHKJWER-UHFFFAOYSA-N
MW224.32 g/mol
LogP4.20
Rot. Bonds5

About 1-fluoro-4-(2-methylbutyl)-2-propan-2-yloxybenzene

1-fluoro-4-(2-methylbutyl)-2-propan-2-yloxybenzene (PubChem CID 70850763) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-fluoro-4-(2-methylbutyl)-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-fluoro-4-(2-methylbutyl)-2-propan-2-yloxybenzene
PubChem CID70850763
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name1-fluoro-4-(2-methylbutyl)-2-propan-2-yloxybenzene
SMILESCCC(C)Cc1ccc(F)c(OC(C)C)c1
InChIInChI=1S/C14H21FO/c1-5-11(4)8-12-6-7-13(15)14(9-12)16-10(2)3/h6-7,9-11H,5,8H2,1-4H3
InChIKeyGUSVECIVHKJWER-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-4-(2-methylbutyl)-2-(trifluoromethoxy)benzene
CID 70852240
4-(2,2-dimethylpropyl)-1-fluoro-2-propan-2-yloxybenzene
CID 58157929
2-methoxy-4-(2-methylbutyl)-1-(trifluoromethyl)benzene
CID 177016098
1,4-bis(2-methylbutyl)benzene;ethane
CID 145016411
1-fluoro-3-[(2S)-2-methylbutyl]benzene
CID 125477231
1,3-bis[(2S)-2-methylbutyl]benzene
CID 102208674
1,2-difluoro-4-(2-methylpentyl)benzene
CID 143267689
2-[(4-fluoro-3-methoxyphenyl)methyl]butanal
CID 83834776
1-(4-fluoro-3-methoxyphenyl)-N-methylpropan-2-amine
CID 69036284
(3-fluoro-4-propan-2-yloxyphenyl)methanol
CID 28945931
2-fluoro-1-methoxy-4-[(2R)-2-methylpentyl]benzene
CID 59468307
1-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891288

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(2-methylbutyl)-2-propan-2-yloxybenzene?
The IUPAC name of 1-fluoro-4-(2-methylbutyl)-2-propan-2-yloxybenzene (CID 70850763) is 1-fluoro-4-(2-methylbutyl)-2-propan-2-yloxybenzene.
What is the SMILES notation for 1-fluoro-4-(2-methylbutyl)-2-propan-2-yloxybenzene?
The canonical SMILES for 1-fluoro-4-(2-methylbutyl)-2-propan-2-yloxybenzene is CCC(C)Cc1ccc(F)c(OC(C)C)c1.
What is the InChIKey of 1-fluoro-4-(2-methylbutyl)-2-propan-2-yloxybenzene?
The InChIKey is GUSVECIVHKJWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-5-11(4)8-12-6-7-13(15)14(9-12)16-10(2)3/h6-7,9-11H,5,8H2,1-4H3.
What are the key properties of 1-fluoro-4-(2-methylbutyl)-2-propan-2-yloxybenzene?
1-fluoro-4-(2-methylbutyl)-2-propan-2-yloxybenzene has a molecular weight of 224.32 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2-methylbutyl)-2-propan-2-yloxybenzene is sourced from PubChem (CID 70850763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).