4-(difluoromethyl)-1-methoxy-2-propylbenzene

C11H14F2O — CID 165125714

IUPAC4-(difluoromethyl)-1-methoxy-2-propylbenzene
SMILESCCCc1cc(C(F)F)ccc1OC
InChIInChI=1S/C11H14F2O/c1-3-4-8-7-9(11(12)13)5-6-10(8)14-2/h5-7,11H,3-4H2,1-2H3
InChIKeyOLUPPPQCDQPMPG-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.59
Rot. Bonds4

About 4-(difluoromethyl)-1-methoxy-2-propylbenzene

4-(difluoromethyl)-1-methoxy-2-propylbenzene (PubChem CID 165125714) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-methoxy-2-propylbenzene.

Molecular Properties

Compound Name4-(difluoromethyl)-1-methoxy-2-propylbenzene
PubChem CID165125714
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name4-(difluoromethyl)-1-methoxy-2-propylbenzene
SMILESCCCc1cc(C(F)F)ccc1OC
InChIInChI=1S/C11H14F2O/c1-3-4-8-7-9(11(12)13)5-6-10(8)14-2/h5-7,11H,3-4H2,1-2H3
InChIKeyOLUPPPQCDQPMPG-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84681019
1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one
CID 84680200
1-bromo-3-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one
CID 134616858
5-(difluoromethyl)-2-propylaniline
CID 130537741
3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid
CID 70957387
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol
CID 163533268
2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine
CID 117043743
2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84681021
1-chloro-4-(difluoromethyl)-2-methoxybenzene
CID 84664383
3-(4-methoxy-3-propylphenyl)propan-1-amine
CID 123256997

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-methoxy-2-propylbenzene?
The IUPAC name of 4-(difluoromethyl)-1-methoxy-2-propylbenzene (CID 165125714) is 4-(difluoromethyl)-1-methoxy-2-propylbenzene.
What is the SMILES notation for 4-(difluoromethyl)-1-methoxy-2-propylbenzene?
The canonical SMILES for 4-(difluoromethyl)-1-methoxy-2-propylbenzene is CCCc1cc(C(F)F)ccc1OC.
What is the InChIKey of 4-(difluoromethyl)-1-methoxy-2-propylbenzene?
The InChIKey is OLUPPPQCDQPMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-3-4-8-7-9(11(12)13)5-6-10(8)14-2/h5-7,11H,3-4H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-1-methoxy-2-propylbenzene?
4-(difluoromethyl)-1-methoxy-2-propylbenzene has a molecular weight of 200.23 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-methoxy-2-propylbenzene is sourced from PubChem (CID 165125714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).