ethane;1-fluoro-2-methylbenzene;propane

C12H21F — CID 143588585

IUPACethane;1-fluoro-2-methylbenzene;propane
SMILESCC.CCC.Cc1ccccc1F
InChIInChI=1S/C7H7F.C3H8.C2H6/c1-6-4-2-3-5-7(6)8;1-3-2;1-2/h2-5H,1H3;3H2,1-2H3;1-2H3
InChIKeyDEBCMKVZROAWRB-UHFFFAOYSA-N
MW184.30 g/mol
LogP4.58
Rot. Bonds

About ethane;1-fluoro-2-methylbenzene;propane

ethane;1-fluoro-2-methylbenzene;propane (PubChem CID 143588585) has the molecular formula C12H21F and a molecular weight of 184.30 g/mol. Its IUPAC name is ethane;1-fluoro-2-methylbenzene;propane.

Molecular Properties

Compound Nameethane;1-fluoro-2-methylbenzene;propane
PubChem CID143588585
Molecular FormulaC12H21F
Molecular Weight184.30 g/mol
Exact Mass184.16
IUPAC Nameethane;1-fluoro-2-methylbenzene;propane
SMILESCC.CCC.Cc1ccccc1F
InChIInChI=1S/C7H7F.C3H8.C2H6/c1-6-4-2-3-5-7(6)8;1-3-2;1-2/h2-5H,1H3;3H2,1-2H3;1-2H3
InChIKeyDEBCMKVZROAWRB-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-fluoro-2-methylbenzene;methane
CID 143320188
acetylene;ethane;1-fluoro-2-methylbenzene
CID 145259299
acetylene;1-fluoro-2-methylbenzene
CID 175248306
but-1-yne;1-fluoro-2-methylbenzene
CID 174807664
1-fluoro-2-methylbenzene;formaldehyde
CID 143723361
1-fluoro-2-methylbenzene;isocyanic acid
CID 175401975
1-fluoro-2-methylbenzene;phenol
CID 159985106
2-ethylpyridine;1-fluoro-2-methylbenzene
CID 142160976
1,3-difluoro-2-methylbenzene;ethane;1,2-xylene
CID 142353819
ethane;1-fluoro-4-methoxybenzene;1-fluoro-2-methylbenzene
CID 156880455
acetic acid;1-fluoro-2-methylbenzene;guanidine
CID 174681985
ethane;2-fluoro-1,4-dimethylbenzene;propane
CID 144971037

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-2-methylbenzene;propane?
The IUPAC name of ethane;1-fluoro-2-methylbenzene;propane (CID 143588585) is ethane;1-fluoro-2-methylbenzene;propane.
What is the SMILES notation for ethane;1-fluoro-2-methylbenzene;propane?
The canonical SMILES for ethane;1-fluoro-2-methylbenzene;propane is CC.CCC.Cc1ccccc1F.
What is the InChIKey of ethane;1-fluoro-2-methylbenzene;propane?
The InChIKey is DEBCMKVZROAWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F.C3H8.C2H6/c1-6-4-2-3-5-7(6)8;1-3-2;1-2/h2-5H,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-fluoro-2-methylbenzene;propane?
ethane;1-fluoro-2-methylbenzene;propane has a molecular weight of 184.30 g/mol, XLogP of 4.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-2-methylbenzene;propane is sourced from PubChem (CID 143588585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).