1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene

C17H19F — CID 143112976

IUPAC1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene
SMILESCC(C)[C@](C)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H19F/c1-13(2)17(3,14-7-5-4-6-8-14)15-9-11-16(18)12-10-15/h4-13H,1-3H3/t17-/m1/s1
InChIKeyJSPSZOLRTNMTPV-QGZVFWFLSA-N
MW242.34 g/mol
LogP4.79
Rot. Bonds3

About 1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene

1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene (PubChem CID 143112976) has the molecular formula C17H19F and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene
PubChem CID143112976
Molecular FormulaC17H19F
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene
SMILESCC(C)[C@](C)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H19F/c1-13(2)17(3,14-7-5-4-6-8-14)15-9-11-16(18)12-10-15/h4-13H,1-3H3/t17-/m1/s1
InChIKeyJSPSZOLRTNMTPV-QGZVFWFLSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-[1-(4-fluorophenyl)-1-phenylethyl]benzene
CID 58537150
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(2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene
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1,1-bis(4-fluorophenyl)propane-1,2-diol
CID 117062920
1-fluoro-4-[2-(4-fluorophenyl)propan-2-yl]benzene
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magnesium;bis(4-fluorophenyl)-phenylmethanolate;chloride
CID 130472570
1-(4-fluorophenyl)sulfanyl-2-phenylpropan-2-ol
CID 55068428
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
2,4-dimethyl-3-phenylhex-5-en-3-amine
CID 10679669
1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol
CID 62374837
(3-fluoro-2-methylbutan-2-yl)benzene
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(2S)-2-(4-fluorophenyl)-2-methyl-3,3-diphenylpropan-1-ol
CID 135054788

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene?
The IUPAC name of 1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene (CID 143112976) is 1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene.
What is the SMILES notation for 1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene?
The canonical SMILES for 1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene is CC(C)[C@](C)(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene?
The InChIKey is JSPSZOLRTNMTPV-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19F/c1-13(2)17(3,14-7-5-4-6-8-14)15-9-11-16(18)12-10-15/h4-13H,1-3H3/t17-/m1/s1.
What are the key properties of 1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene?
1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene has a molecular weight of 242.34 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene is sourced from PubChem (CID 143112976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).