1-(2,2-difluoroethoxy)-3-propylbenzene

C11H14F2O — CID 163241984

IUPAC1-(2,2-difluoroethoxy)-3-propylbenzene
SMILESCCCc1cccc(OCC(F)F)c1
InChIInChI=1S/C11H14F2O/c1-2-4-9-5-3-6-10(7-9)14-8-11(12)13/h3,5-7,11H,2,4,8H2,1H3
InChIKeyQQWGVXNIHFWJMA-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.28
Rot. Bonds5

About 1-(2,2-difluoroethoxy)-3-propylbenzene

1-(2,2-difluoroethoxy)-3-propylbenzene (PubChem CID 163241984) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-3-propylbenzene.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-3-propylbenzene
PubChem CID163241984
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-(2,2-difluoroethoxy)-3-propylbenzene
SMILESCCCc1cccc(OCC(F)F)c1
InChIInChI=1S/C11H14F2O/c1-2-4-9-5-3-6-10(7-9)14-8-11(12)13/h3,5-7,11H,2,4,8H2,1H3
InChIKeyQQWGVXNIHFWJMA-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine
CID 60922910
1-phenylmethoxy-3-propylbenzene
CID 58977798
1-methoxy-3-propylbenzene
CID 14270128
2-[[3-(2,2-difluoroethoxy)phenyl]methyl]-1-ethyl-3-propylguanidine
CID 111228181
1-butyl-3-(2-propylpentoxy)benzene
CID 69097315
2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide
CID 119315367
5-(3-propylphenoxy)pentan-1-ol
CID 174619714
2-[3-(2-ethylbutoxy)phenyl]ethanamine
CID 82922399
ethane;N-methyl-2-(3-propylphenoxy)ethanamine
CID 142327682
2-phenoxy-1-(3-propylphenyl)ethanol
CID 116543555
1-fluoro-4-(3-propylphenoxy)benzene
CID 54416846
2-[[3-(2,2-difluoroethoxy)phenyl]methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide
CID 111849869

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-3-propylbenzene?
The IUPAC name of 1-(2,2-difluoroethoxy)-3-propylbenzene (CID 163241984) is 1-(2,2-difluoroethoxy)-3-propylbenzene.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-3-propylbenzene?
The canonical SMILES for 1-(2,2-difluoroethoxy)-3-propylbenzene is CCCc1cccc(OCC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethoxy)-3-propylbenzene?
The InChIKey is QQWGVXNIHFWJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-2-4-9-5-3-6-10(7-9)14-8-11(12)13/h3,5-7,11H,2,4,8H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxy)-3-propylbenzene?
1-(2,2-difluoroethoxy)-3-propylbenzene has a molecular weight of 200.23 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-3-propylbenzene is sourced from PubChem (CID 163241984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).