4-(difluoromethyl)-2-ethyl-1-methoxybenzene

C10H12F2O — CID 176934725

IUPAC4-(difluoromethyl)-2-ethyl-1-methoxybenzene
SMILESCCc1cc(C(F)F)ccc1OC
InChIInChI=1S/C10H12F2O/c1-3-7-6-8(10(11)12)4-5-9(7)13-2/h4-6,10H,3H2,1-2H3
InChIKeyFEKYWAMAQFXUHJ-UHFFFAOYSA-N
MW186.20 g/mol
LogP3.20
Rot. Bonds3

About 4-(difluoromethyl)-2-ethyl-1-methoxybenzene

4-(difluoromethyl)-2-ethyl-1-methoxybenzene (PubChem CID 176934725) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-ethyl-1-methoxybenzene.

Molecular Properties

Compound Name4-(difluoromethyl)-2-ethyl-1-methoxybenzene
PubChem CID176934725
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name4-(difluoromethyl)-2-ethyl-1-methoxybenzene
SMILESCCc1cc(C(F)F)ccc1OC
InChIInChI=1S/C10H12F2O/c1-3-7-6-8(10(11)12)4-5-9(7)13-2/h4-6,10H,3H2,1-2H3
InChIKeyFEKYWAMAQFXUHJ-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(difluoromethyl)-1-methoxy-2-propylbenzene
CID 165125714
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one
CID 84680200
1-bromo-3-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one
CID 134616858
1-(3-ethyl-4-methoxyphenyl)butane-1,3-diamine
CID 116933248
3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84681019
1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol
CID 82281977
2-(3-ethyl-4-methoxyphenyl)-3-oxopropanenitrile
CID 82112546
2-(ethylamino)-1-(3-ethyl-4-methoxyphenyl)propan-1-ol
CID 112512326
2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide
CID 116845766
1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904678
4-(dimethylamino)-2-(3-ethyl-4-methoxyphenyl)butanenitrile
CID 112508618

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-ethyl-1-methoxybenzene?
The IUPAC name of 4-(difluoromethyl)-2-ethyl-1-methoxybenzene (CID 176934725) is 4-(difluoromethyl)-2-ethyl-1-methoxybenzene.
What is the SMILES notation for 4-(difluoromethyl)-2-ethyl-1-methoxybenzene?
The canonical SMILES for 4-(difluoromethyl)-2-ethyl-1-methoxybenzene is CCc1cc(C(F)F)ccc1OC.
What is the InChIKey of 4-(difluoromethyl)-2-ethyl-1-methoxybenzene?
The InChIKey is FEKYWAMAQFXUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-3-7-6-8(10(11)12)4-5-9(7)13-2/h4-6,10H,3H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-2-ethyl-1-methoxybenzene?
4-(difluoromethyl)-2-ethyl-1-methoxybenzene has a molecular weight of 186.20 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-ethyl-1-methoxybenzene is sourced from PubChem (CID 176934725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).