ethane;1-fluoro-4-methyl-2-propoxybenzene

C12H19FO — CID 162531945

IUPACethane;1-fluoro-4-methyl-2-propoxybenzene
SMILESCC.CCCOc1cc(C)ccc1F
InChIInChI=1S/C10H13FO.C2H6/c1-3-6-12-10-7-8(2)4-5-9(10)11;1-2/h4-5,7H,3,6H2,1-2H3;1-2H3
InChIKeyYBSBJOPLDUVQBP-UHFFFAOYSA-N
MW198.28 g/mol
LogP3.95
Rot. Bonds3

About ethane;1-fluoro-4-methyl-2-propoxybenzene

ethane;1-fluoro-4-methyl-2-propoxybenzene (PubChem CID 162531945) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is ethane;1-fluoro-4-methyl-2-propoxybenzene.

Molecular Properties

Compound Nameethane;1-fluoro-4-methyl-2-propoxybenzene
PubChem CID162531945
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Nameethane;1-fluoro-4-methyl-2-propoxybenzene
SMILESCC.CCCOc1cc(C)ccc1F
InChIInChI=1S/C10H13FO.C2H6/c1-3-6-12-10-7-8(2)4-5-9(10)11;1-2/h4-5,7H,3,6H2,1-2H3;1-2H3
InChIKeyYBSBJOPLDUVQBP-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;1-fluoro-4-methyl-2-propoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855008
1-fluoro-4-methyl-2-(3-methylbutoxy)benzene
CID 64854132
1-fluoro-4-methyl-2-(4-methylpentoxy)benzene
CID 83168254
1-fluoro-4-methyl-2-(4,4,4-trifluorobutoxy)benzene
CID 115518687
1-fluoro-4-methylsulfanyl-2-propoxybenzene
CID 91657322
ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene
CID 145227334
6-(2-fluoro-5-methylphenoxy)hexan-3-amine
CID 106801003
4-methyl-2-propoxyaniline
CID 24698653
5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine
CID 64854811
5-(2-fluoro-5-methylphenoxy)pentan-2-amine
CID 64853835
1-(2-fluoro-5-methylphenoxy)butan-2-ol
CID 64854416
3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine
CID 64854707

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-4-methyl-2-propoxybenzene?
The IUPAC name of ethane;1-fluoro-4-methyl-2-propoxybenzene (CID 162531945) is ethane;1-fluoro-4-methyl-2-propoxybenzene.
What is the SMILES notation for ethane;1-fluoro-4-methyl-2-propoxybenzene?
The canonical SMILES for ethane;1-fluoro-4-methyl-2-propoxybenzene is CC.CCCOc1cc(C)ccc1F.
What is the InChIKey of ethane;1-fluoro-4-methyl-2-propoxybenzene?
The InChIKey is YBSBJOPLDUVQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO.C2H6/c1-3-6-12-10-7-8(2)4-5-9(10)11;1-2/h4-5,7H,3,6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-fluoro-4-methyl-2-propoxybenzene?
ethane;1-fluoro-4-methyl-2-propoxybenzene has a molecular weight of 198.28 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-4-methyl-2-propoxybenzene is sourced from PubChem (CID 162531945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).