1-fluoro-4-[(1R)-1-methoxyethyl]-5-methyl-2-propan-2-ylbenzene

C13H19FO — CID 176665151

IUPAC1-fluoro-4-[(1R)-1-methoxyethyl]-5-methyl-2-propan-2-ylbenzene
SMILESCO[C@H](C)c1cc(C(C)C)c(F)cc1C
InChIInChI=1S/C13H19FO/c1-8(2)11-7-12(10(4)15-5)9(3)6-13(11)14/h6-8,10H,1-5H3/t10-/m1/s1
InChIKeyPAKHYYZCFDHXPF-SNVBAGLBSA-N
MW210.29 g/mol
LogP3.96
Rot. Bonds3

About 1-fluoro-4-[(1R)-1-methoxyethyl]-5-methyl-2-propan-2-ylbenzene

1-fluoro-4-[(1R)-1-methoxyethyl]-5-methyl-2-propan-2-ylbenzene (PubChem CID 176665151) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 1-fluoro-4-[(1R)-1-methoxyethyl]-5-methyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-fluoro-4-[(1R)-1-methoxyethyl]-5-methyl-2-propan-2-ylbenzene
PubChem CID176665151
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name1-fluoro-4-[(1R)-1-methoxyethyl]-5-methyl-2-propan-2-ylbenzene
SMILESCO[C@H](C)c1cc(C(C)C)c(F)cc1C
InChIInChI=1S/C13H19FO/c1-8(2)11-7-12(10(4)15-5)9(3)6-13(11)14/h6-8,10H,1-5H3/t10-/m1/s1
InChIKeyPAKHYYZCFDHXPF-SNVBAGLBSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117320871
1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene
CID 59409851
ethane;4-fluoro-2-methyl-5-propan-2-ylphenol
CID 145193990
1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one
CID 117297798
1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine
CID 117288733
1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)cyclopropan-1-ol
CID 117297836
ethane;N-(4-fluoro-2-methyl-5-propan-2-ylphenyl)sulfanylpropan-2-amine
CID 142320546
1-chloro-2-fluoro-5-methyl-4-propan-2-ylbenzene
CID 89042386
1-bromo-2,5-difluoro-4-propan-2-ylbenzene
CID 58333577
1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene
CID 177076482
methyl (2S)-2-(2,5-difluoro-4-methylphenyl)propanoate
CID 124636879
5-fluoro-2-methyl-4-propan-2-ylbenzamide
CID 58333607

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(1R)-1-methoxyethyl]-5-methyl-2-propan-2-ylbenzene?
The IUPAC name of 1-fluoro-4-[(1R)-1-methoxyethyl]-5-methyl-2-propan-2-ylbenzene (CID 176665151) is 1-fluoro-4-[(1R)-1-methoxyethyl]-5-methyl-2-propan-2-ylbenzene.
What is the SMILES notation for 1-fluoro-4-[(1R)-1-methoxyethyl]-5-methyl-2-propan-2-ylbenzene?
The canonical SMILES for 1-fluoro-4-[(1R)-1-methoxyethyl]-5-methyl-2-propan-2-ylbenzene is CO[C@H](C)c1cc(C(C)C)c(F)cc1C.
What is the InChIKey of 1-fluoro-4-[(1R)-1-methoxyethyl]-5-methyl-2-propan-2-ylbenzene?
The InChIKey is PAKHYYZCFDHXPF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19FO/c1-8(2)11-7-12(10(4)15-5)9(3)6-13(11)14/h6-8,10H,1-5H3/t10-/m1/s1.
What are the key properties of 1-fluoro-4-[(1R)-1-methoxyethyl]-5-methyl-2-propan-2-ylbenzene?
1-fluoro-4-[(1R)-1-methoxyethyl]-5-methyl-2-propan-2-ylbenzene has a molecular weight of 210.29 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(1R)-1-methoxyethyl]-5-methyl-2-propan-2-ylbenzene is sourced from PubChem (CID 176665151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).