1,3-difluoroprop-1-ene;ethoxymethylbenzene

C12H16F2O — CID 174789840

IUPAC1,3-difluoroprop-1-ene;ethoxymethylbenzene
SMILESCCOCc1ccccc1.FC=CCF
InChIInChI=1S/C9H12O.C3H4F2/c1-2-10-8-9-6-4-3-5-7-9;4-2-1-3-5/h3-7H,2,8H2,1H3;1-2H,3H2
InChIKeyVURMDZMCUWEGRU-UHFFFAOYSA-N
MW214.25 g/mol
LogP3.66
Rot. Bonds4

About 1,3-difluoroprop-1-ene;ethoxymethylbenzene

1,3-difluoroprop-1-ene;ethoxymethylbenzene (PubChem CID 174789840) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 1,3-difluoroprop-1-ene;ethoxymethylbenzene.

Molecular Properties

Compound Name1,3-difluoroprop-1-ene;ethoxymethylbenzene
PubChem CID174789840
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name1,3-difluoroprop-1-ene;ethoxymethylbenzene
SMILESCCOCc1ccccc1.FC=CCF
InChIInChI=1S/C9H12O.C3H4F2/c1-2-10-8-9-6-4-3-5-7-9;4-2-1-3-5/h3-7H,2,8H2,1H3;1-2H,3H2
InChIKeyVURMDZMCUWEGRU-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(213C)ethoxymethylbenzene
CID 87947851
ethoxymethylbenzene;propylbenzene
CID 174975433
[(E)-3-fluoroprop-1-enoxy]methylbenzene
CID 143459033
ethane;phenylmethoxymethylbenzene
CID 90943549
1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one
CID 139394409
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
CID 66734377
CID 66734377
1-ethyl-4-(phenylmethoxymethyl)benzene
CID 123410479
2,3-difluoropropoxymethylbenzene
CID 86233522
dimethyltin;phenylmethoxymethylbenzene
CID 87392963
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
benzylbenzene;ethoxyethane
CID 69148831

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoroprop-1-ene;ethoxymethylbenzene?
The IUPAC name of 1,3-difluoroprop-1-ene;ethoxymethylbenzene (CID 174789840) is 1,3-difluoroprop-1-ene;ethoxymethylbenzene.
What is the SMILES notation for 1,3-difluoroprop-1-ene;ethoxymethylbenzene?
The canonical SMILES for 1,3-difluoroprop-1-ene;ethoxymethylbenzene is CCOCc1ccccc1.FC=CCF.
What is the InChIKey of 1,3-difluoroprop-1-ene;ethoxymethylbenzene?
The InChIKey is VURMDZMCUWEGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C3H4F2/c1-2-10-8-9-6-4-3-5-7-9;4-2-1-3-5/h3-7H,2,8H2,1H3;1-2H,3H2.
What are the key properties of 1,3-difluoroprop-1-ene;ethoxymethylbenzene?
1,3-difluoroprop-1-ene;ethoxymethylbenzene has a molecular weight of 214.25 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoroprop-1-ene;ethoxymethylbenzene is sourced from PubChem (CID 174789840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).