1-butoxy-2,3,4-trifluorobenzene

C10H11F3O — CID 53441447

IUPAC1-butoxy-2,3,4-trifluorobenzene
SMILESCCCCOc1ccc(F)c(F)c1F
InChIInChI=1S/C10H11F3O/c1-2-3-6-14-8-5-4-7(11)9(12)10(8)13/h4-5H,2-3,6H2,1H3
InChIKeySUQVNOJYWQZVTN-UHFFFAOYSA-N
MW204.19 g/mol
LogP3.28
Rot. Bonds4

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

1-butoxy-2,3,4-trifluorobenzene (PubChem CID 53441447) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-butoxy-2,3,4-trifluorobenzene.

Molecular Properties

Compound Name1-butoxy-2,3,4-trifluorobenzene
PubChem CID53441447
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name1-butoxy-2,3,4-trifluorobenzene
SMILESCCCCOc1ccc(F)c(F)c1F
InChIInChI=1S/C10H11F3O/c1-2-3-6-14-8-5-4-7(11)9(12)10(8)13/h4-5H,2-3,6H2,1H3
InChIKeySUQVNOJYWQZVTN-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-2,3-difluoro-4-methoxybenzene
CID 118933366
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
1-butoxy-2,3-difluoro-4-(4-fluorobutoxy)benzene
CID 153282559
1-butoxy-2,3-difluoro-4-heptoxybenzene;1-butoxy-2,3-difluoro-4-hexoxybenzene;1-butoxy-2,3-difluoro-4-octoxybenzene;1-butoxy-2,3-difluoro-4-pentoxybenzene;2,3-difluoro-1-methoxy-4-nonoxybenzene;2,3-difluoro-1-methoxy-4-octoxybenzene
CID 159048658
1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene
CID 170380825
2-(2,3,4-trifluorophenoxy)ethanol
CID 117051245
bis(1-butoxy-2,3-difluoro-4-methylbenzene);bis(2,3-difluoro-1-hexoxy-4-methylbenzene);bis(2,3-difluoro-1-methyl-4-pentoxybenzene);bis(2,3-difluoro-1-methyl-4-propoxybenzene)
CID 162113743
1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene
CID 126583756
1-[(E)-but-2-enoxy]-4-butoxy-2,3-difluorobenzene
CID 170380762
O-[2-(2,3,4-trifluorophenoxy)ethyl]hydroxylamine
CID 19370611
1-dodecoxy-2,3-difluorobenzene
CID 15854521
2,3-difluoro-1-iodo-4-pentoxybenzene
CID 20632201

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2,3,4-trifluorobenzene?
The IUPAC name of 1-butoxy-2,3,4-trifluorobenzene (CID 53441447) is 1-butoxy-2,3,4-trifluorobenzene.
What is the SMILES notation for 1-butoxy-2,3,4-trifluorobenzene?
The canonical SMILES for 1-butoxy-2,3,4-trifluorobenzene is CCCCOc1ccc(F)c(F)c1F.
What is the InChIKey of 1-butoxy-2,3,4-trifluorobenzene?
The InChIKey is SUQVNOJYWQZVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-2-3-6-14-8-5-4-7(11)9(12)10(8)13/h4-5H,2-3,6H2,1H3.
What are the key properties of 1-butoxy-2,3,4-trifluorobenzene?
1-butoxy-2,3,4-trifluorobenzene has a molecular weight of 204.19 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2,3,4-trifluorobenzene is sourced from PubChem (CID 53441447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).