1,3-difluoro-5-methoxy-2-propylbenzene

C10H12F2O — CID 89112657

IUPAC1,3-difluoro-5-methoxy-2-propylbenzene
SMILESCCCc1c(F)cc(OC)cc1F
InChIInChI=1S/C10H12F2O/c1-3-4-8-9(11)5-7(13-2)6-10(8)12/h5-6H,3-4H2,1-2H3
InChIKeyZNDGITGYXGPJTR-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.93
Rot. Bonds3

About 1,3-difluoro-5-methoxy-2-propylbenzene

1,3-difluoro-5-methoxy-2-propylbenzene (PubChem CID 89112657) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 1,3-difluoro-5-methoxy-2-propylbenzene.

Molecular Properties

Compound Name1,3-difluoro-5-methoxy-2-propylbenzene
PubChem CID89112657
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name1,3-difluoro-5-methoxy-2-propylbenzene
SMILESCCCc1c(F)cc(OC)cc1F
InChIInChI=1S/C10H12F2O/c1-3-4-8-9(11)5-7(13-2)6-10(8)12/h5-6H,3-4H2,1-2H3
InChIKeyZNDGITGYXGPJTR-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene
CID 53403518
(2,6-difluoro-4-methoxyphenyl)methanol
CID 3736239
5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine
CID 65304274
(2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride
CID 162342560
2-(2,6-difluoro-4-methoxyphenyl)acetonitrile
CID 3869500
1,2,3,5-tetrafluoro-4-propylbenzene
CID 88575988
3,5-dimethoxy-2-propylaniline
CID 141261453
1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117303787
1-ethyl-2,3-difluoro-5-methoxybenzene
CID 149025981
N-[2-[2-(2,6-difluoro-4-methoxyphenyl)ethoxy]ethyl]propan-2-amine
CID 65304977
1,2,4,5-tetrafluoro-3-propylbenzene
CID 12944004
6-methoxy-1,2,3,4-tetrapropylnaphthalene
CID 101211335

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-methoxy-2-propylbenzene?
The IUPAC name of 1,3-difluoro-5-methoxy-2-propylbenzene (CID 89112657) is 1,3-difluoro-5-methoxy-2-propylbenzene.
What is the SMILES notation for 1,3-difluoro-5-methoxy-2-propylbenzene?
The canonical SMILES for 1,3-difluoro-5-methoxy-2-propylbenzene is CCCc1c(F)cc(OC)cc1F.
What is the InChIKey of 1,3-difluoro-5-methoxy-2-propylbenzene?
The InChIKey is ZNDGITGYXGPJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-3-4-8-9(11)5-7(13-2)6-10(8)12/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,3-difluoro-5-methoxy-2-propylbenzene?
1,3-difluoro-5-methoxy-2-propylbenzene has a molecular weight of 186.20 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-methoxy-2-propylbenzene is sourced from PubChem (CID 89112657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).