1-cyclobutyloxy-2,3,4-trifluorobenzene

C10H9F3O — CID 155030976

IUPAC1-cyclobutyloxy-2,3,4-trifluorobenzene
SMILESFc1ccc(OC2CCC2)c(F)c1F
InChIInChI=1S/C10H9F3O/c11-7-4-5-8(10(13)9(7)12)14-6-2-1-3-6/h4-6H,1-3H2
InChIKeyFXPWDKKUHKGDNY-UHFFFAOYSA-N
MW202.17 g/mol
LogP3.04
Rot. Bonds2

About 1-cyclobutyloxy-2,3,4-trifluorobenzene

1-cyclobutyloxy-2,3,4-trifluorobenzene (PubChem CID 155030976) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is 1-cyclobutyloxy-2,3,4-trifluorobenzene.

Molecular Properties

Compound Name1-cyclobutyloxy-2,3,4-trifluorobenzene
PubChem CID155030976
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name1-cyclobutyloxy-2,3,4-trifluorobenzene
SMILESFc1ccc(OC2CCC2)c(F)c1F
InChIInChI=1S/C10H9F3O/c11-7-4-5-8(10(13)9(7)12)14-6-2-1-3-6/h4-6H,1-3H2
InChIKeyFXPWDKKUHKGDNY-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene
CID 158177850
3-(2,3,4-trifluorophenoxy)cyclobutan-1-amine
CID 153355495
1-cyclobutyloxy-4-cyclopentyl-2,3-difluorobenzene
CID 153282478
1-cyclopentyl-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282573
4-chloro-1-cyclopentyloxy-2-fluorobenzene
CID 130163329
2-cyclobutyloxy-1,4-difluorobenzene
CID 130038404
1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282322
1-cyclopentyloxy-2-fluoro-3-methylbenzene
CID 103942608
1-[(E)-2-cyclobutylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene
CID 147615512
1-cyclohexyloxy-2-fluoro-3-methylbenzene
CID 70930096
4-chloro-2-cyclobutyloxy-1-cyclopentyloxybenzene
CID 90887277
3-(2,3-difluorophenoxy)-N-methylcyclohexan-1-amine
CID 79618474

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyloxy-2,3,4-trifluorobenzene?
The IUPAC name of 1-cyclobutyloxy-2,3,4-trifluorobenzene (CID 155030976) is 1-cyclobutyloxy-2,3,4-trifluorobenzene.
What is the SMILES notation for 1-cyclobutyloxy-2,3,4-trifluorobenzene?
The canonical SMILES for 1-cyclobutyloxy-2,3,4-trifluorobenzene is Fc1ccc(OC2CCC2)c(F)c1F.
What is the InChIKey of 1-cyclobutyloxy-2,3,4-trifluorobenzene?
The InChIKey is FXPWDKKUHKGDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c11-7-4-5-8(10(13)9(7)12)14-6-2-1-3-6/h4-6H,1-3H2.
What are the key properties of 1-cyclobutyloxy-2,3,4-trifluorobenzene?
1-cyclobutyloxy-2,3,4-trifluorobenzene has a molecular weight of 202.17 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyloxy-2,3,4-trifluorobenzene is sourced from PubChem (CID 155030976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).