1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene

C11H11F3O2 — CID 135080500

IUPAC1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene
SMILESC=C(OCc1ccc(OC)cc1)C(F)(F)F
InChIInChI=1S/C11H11F3O2/c1-8(11(12,13)14)16-7-9-3-5-10(15-2)6-4-9/h3-6H,1,7H2,2H3
InChIKeyKJTCDXSCTLXHSX-UHFFFAOYSA-N
MW232.20 g/mol
LogP3.29
Rot. Bonds4

About 1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene

1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene (PubChem CID 135080500) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene
PubChem CID135080500
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene
SMILESC=C(OCc1ccc(OC)cc1)C(F)(F)F
InChIInChI=1S/C11H11F3O2/c1-8(11(12,13)14)16-7-9-3-5-10(15-2)6-4-9/h3-6H,1,7H2,2H3
InChIKeyKJTCDXSCTLXHSX-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene
CID 102437970
(4-methoxyphenyl)methyl 2,2-difluoro-2-sulfanylacetate
CID 163433987
tert-butyl 2-[(4-methoxyphenyl)methoxy]prop-2-enoate
CID 11380047
bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate
CID 19075817
1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene
CID 145479406
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
(1E,3E)-4,5-dichloro-2-[(4-methoxyphenyl)methoxy]hexa-1,3,5-trien-1-amine
CID 121405286
diaminomethylidene-[(4-methoxyphenyl)methoxy]azanium
CID 3601249
2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 176890348
(4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate
CID 115430699
4-O-[(4-methoxyphenyl)methyl] 1-O-(2,2,2-trichloroethyl) 2-methylidenebutanedioate
CID 163274266

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene?
The IUPAC name of 1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene (CID 135080500) is 1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene.
What is the SMILES notation for 1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene?
The canonical SMILES for 1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene is C=C(OCc1ccc(OC)cc1)C(F)(F)F.
What is the InChIKey of 1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene?
The InChIKey is KJTCDXSCTLXHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-8(11(12,13)14)16-7-9-3-5-10(15-2)6-4-9/h3-6H,1,7H2,2H3.
What are the key properties of 1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene?
1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene has a molecular weight of 232.20 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene is sourced from PubChem (CID 135080500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).