ethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene

C12H19FO — CID 143926197

IUPACethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene
SMILESCC.COCC(C)c1ccc(F)cc1
InChIInChI=1S/C10H13FO.C2H6/c1-8(7-12-2)9-3-5-10(11)6-4-9;1-2/h3-6,8H,7H2,1-2H3;1-2H3
InChIKeyQKPBMBBIJGHASO-UHFFFAOYSA-N
MW198.28 g/mol
LogP3.60
Rot. Bonds3

About ethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene

ethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene (PubChem CID 143926197) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is ethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene.

Molecular Properties

Compound Nameethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene
PubChem CID143926197
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Nameethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene
SMILESCC.COCC(C)c1ccc(F)cc1
InChIInChI=1S/C10H13FO.C2H6/c1-8(7-12-2)9-3-5-10(11)6-4-9;1-2/h3-6,8H,7H2,1-2H3;1-2H3
InChIKeyQKPBMBBIJGHASO-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

alpha-(2-Methylpropyl)benzeneethanol
CID 62661
2-Phenyl-1-propanol
CID 14295
Methyl phenethyl ether
CID 19089
2-Phenylpropionaldehyde dimethyl acetal
CID 62336
Isoamyl phenethyl ether
CID 91978
2-Phenylpropyl isobutyrate
CID 576240
2-Phenylpropyl butyrate
CID 576263
Phenylisohexanol
CID 108312
Benzeneethanol, beta-methyl-, 1-acetate
CID 25239
Benzeneethanol, 4-(1-methylethyl)-
CID 82349
Rhubafuran
CID 113514
2-Methyl-4-phenyl-1-pentanol
CID 3021997

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene?
The IUPAC name of ethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene (CID 143926197) is ethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene.
What is the SMILES notation for ethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene?
The canonical SMILES for ethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene is CC.COCC(C)c1ccc(F)cc1.
What is the InChIKey of ethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene?
The InChIKey is QKPBMBBIJGHASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO.C2H6/c1-8(7-12-2)9-3-5-10(11)6-4-9;1-2/h3-6,8H,7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene?
ethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene has a molecular weight of 198.28 g/mol, XLogP of 3.60, 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-(1-methoxypropan-2-yl)benzene is sourced from PubChem (CID 143926197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).