ethane;1-fluoro-3-(2-methylpropyl)benzene

C12H19F — CID 142079473

IUPACethane;1-fluoro-3-(2-methylpropyl)benzene
SMILESCC.CC(C)Cc1cccc(F)c1
InChIInChI=1S/C10H13F.C2H6/c1-8(2)6-9-4-3-5-10(11)7-9;1-2/h3-5,7-8H,6H2,1-2H3;1-2H3
InChIKeyVJZDLOVNWQHZGX-UHFFFAOYSA-N
MW182.28 g/mol
LogP4.05
Rot. Bonds2

About ethane;1-fluoro-3-(2-methylpropyl)benzene

ethane;1-fluoro-3-(2-methylpropyl)benzene (PubChem CID 142079473) has the molecular formula C12H19F and a molecular weight of 182.28 g/mol. Its IUPAC name is ethane;1-fluoro-3-(2-methylpropyl)benzene.

Molecular Properties

Compound Nameethane;1-fluoro-3-(2-methylpropyl)benzene
PubChem CID142079473
Molecular FormulaC12H19F
Molecular Weight182.28 g/mol
Exact Mass182.15
IUPAC Nameethane;1-fluoro-3-(2-methylpropyl)benzene
SMILESCC.CC(C)Cc1cccc(F)c1
InChIInChI=1S/C10H13F.C2H6/c1-8(2)6-9-4-3-5-10(11)7-9;1-2/h3-5,7-8H,6H2,1-2H3;1-2H3
InChIKeyVJZDLOVNWQHZGX-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.28
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-3-[(2S)-2-methylbutyl]benzene
CID 125477231
5-(3-fluorophenyl)-4-methylpentan-2-amine
CID 64719620
1-(2-ethyl-3-methylbutyl)-3-fluorobenzene
CID 139973435
1-(2,2-dibromoethyl)-3-fluorobenzene
CID 89414969
N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116543854
1-fluoro-3-(2-nitropropyl)benzene
CID 24721350
2-[(3-fluorophenyl)methyl]-4-methylpentanal
CID 112710131
1-(bromomethyl)-3-fluorobenzene;ethane
CID 90998374
1-(2-benzyl-3-bromopropyl)-3-fluorobenzene
CID 66047635
1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135054
2-(3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66475957
1-(3-bromo-2-ethylbutyl)-3-fluorobenzene
CID 63471794

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-3-(2-methylpropyl)benzene?
The IUPAC name of ethane;1-fluoro-3-(2-methylpropyl)benzene (CID 142079473) is ethane;1-fluoro-3-(2-methylpropyl)benzene.
What is the SMILES notation for ethane;1-fluoro-3-(2-methylpropyl)benzene?
The canonical SMILES for ethane;1-fluoro-3-(2-methylpropyl)benzene is CC.CC(C)Cc1cccc(F)c1.
What is the InChIKey of ethane;1-fluoro-3-(2-methylpropyl)benzene?
The InChIKey is VJZDLOVNWQHZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F.C2H6/c1-8(2)6-9-4-3-5-10(11)7-9;1-2/h3-5,7-8H,6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-fluoro-3-(2-methylpropyl)benzene?
ethane;1-fluoro-3-(2-methylpropyl)benzene has a molecular weight of 182.28 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-3-(2-methylpropyl)benzene is sourced from PubChem (CID 142079473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).