1-methoxy-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzene

C10H9F3O — CID 639714

IUPAC1-methoxy-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
SMILESCOc1ccc(/C=C/C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O/c1-14-9-4-2-8(3-5-9)6-7-10(11,12)13/h2-7H,1H3/b7-6+
InChIKeySMILDTCRTVKJRM-VOTSOKGWSA-N
MW202.17 g/mol
LogP3.27
Rot. Bonds2

About 1-methoxy-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzene

1-methoxy-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzene (PubChem CID 639714) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
PubChem CID639714
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name1-methoxy-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
SMILESCOc1ccc(/C=C/C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O/c1-14-9-4-2-8(3-5-9)6-7-10(11,12)13/h2-7H,1H3/b7-6+
InChIKeySMILDTCRTVKJRM-VOTSOKGWSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
The IUPAC name of 1-methoxy-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzene (CID 639714) is 1-methoxy-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
The canonical SMILES for 1-methoxy-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzene is COc1ccc(/C=C/C(F)(F)F)cc1.
What is the InChIKey of 1-methoxy-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
The InChIKey is SMILDTCRTVKJRM-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H9F3O/c1-14-9-4-2-8(3-5-9)6-7-10(11,12)13/h2-7H,1H3/b7-6+.
What are the key properties of 1-methoxy-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
1-methoxy-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzene has a molecular weight of 202.17 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzene is sourced from PubChem (CID 639714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).