1-methoxy-2-(3,3,3-trifluoropropyl)benzene

C10H11F3O — CID 162553251

IUPAC1-methoxy-2-(3,3,3-trifluoropropyl)benzene
SMILESCOc1ccccc1CCC(F)(F)F
InChIInChI=1S/C10H11F3O/c1-14-9-5-3-2-4-8(9)6-7-10(11,12)13/h2-5H,6-7H2,1H3
InChIKeyFBJRGRVNFGOLOM-UHFFFAOYSA-N
MW204.19 g/mol
LogP3.19
Rot. Bonds3

About 1-methoxy-2-(3,3,3-trifluoropropyl)benzene

1-methoxy-2-(3,3,3-trifluoropropyl)benzene (PubChem CID 162553251) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-methoxy-2-(3,3,3-trifluoropropyl)benzene.

Molecular Properties

Compound Name1-methoxy-2-(3,3,3-trifluoropropyl)benzene
PubChem CID162553251
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name1-methoxy-2-(3,3,3-trifluoropropyl)benzene
SMILESCOc1ccccc1CCC(F)(F)F
InChIInChI=1S/C10H11F3O/c1-14-9-5-3-2-4-8(9)6-7-10(11,12)13/h2-5H,6-7H2,1H3
InChIKeyFBJRGRVNFGOLOM-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 15437580
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1-(2-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)benzene
CID 129279587
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2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene
CID 175444939
2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 143860168
[3-(2-methoxyphenyl)-1,1-diphenylpropyl]hydrazine
CID 22405920
1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol
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CID 143927772

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(3,3,3-trifluoropropyl)benzene?
The IUPAC name of 1-methoxy-2-(3,3,3-trifluoropropyl)benzene (CID 162553251) is 1-methoxy-2-(3,3,3-trifluoropropyl)benzene.
What is the SMILES notation for 1-methoxy-2-(3,3,3-trifluoropropyl)benzene?
The canonical SMILES for 1-methoxy-2-(3,3,3-trifluoropropyl)benzene is COc1ccccc1CCC(F)(F)F.
What is the InChIKey of 1-methoxy-2-(3,3,3-trifluoropropyl)benzene?
The InChIKey is FBJRGRVNFGOLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-14-9-5-3-2-4-8(9)6-7-10(11,12)13/h2-5H,6-7H2,1H3.
What are the key properties of 1-methoxy-2-(3,3,3-trifluoropropyl)benzene?
1-methoxy-2-(3,3,3-trifluoropropyl)benzene has a molecular weight of 204.19 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(3,3,3-trifluoropropyl)benzene is sourced from PubChem (CID 162553251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).