3-butoxy-1,2,4,5-tetrafluorobenzene

C10H10F4O — CID 22416140

IUPAC3-butoxy-1,2,4,5-tetrafluorobenzene
SMILESCCCCOc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H10F4O/c1-2-3-4-15-10-8(13)6(11)5-7(12)9(10)14/h5H,2-4H2,1H3
InChIKeyKQQGDVRFKWCJBR-UHFFFAOYSA-N
MW222.18 g/mol
LogP3.42
Rot. Bonds4

About 3-butoxy-1,2,4,5-tetrafluorobenzene

3-butoxy-1,2,4,5-tetrafluorobenzene (PubChem CID 22416140) has the molecular formula C10H10F4O and a molecular weight of 222.18 g/mol. Its IUPAC name is 3-butoxy-1,2,4,5-tetrafluorobenzene.

Molecular Properties

Compound Name3-butoxy-1,2,4,5-tetrafluorobenzene
PubChem CID22416140
Molecular FormulaC10H10F4O
Molecular Weight222.18 g/mol
Exact Mass222.07
IUPAC Name3-butoxy-1,2,4,5-tetrafluorobenzene
SMILESCCCCOc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H10F4O/c1-2-3-4-15-10-8(13)6(11)5-7(12)9(10)14/h5H,2-4H2,1H3
InChIKeyKQQGDVRFKWCJBR-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 53.42
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_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine
CID 103290253
3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
CID 103290316
N-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine
CID 103289199
6,11,20,25,34,39-hexakis-decoxy-5,7,10,12,19,21,24,26,33,35,38,40-dodecafluorotridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9(14),10,12,15,17,19,21,23,25,27,29,31(36),32,34,37,39,41-henicosaene
CID 101373436
4-(2,3,5,6-tetrafluorophenoxy)butanoic acid
CID 103288808
N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]butan-2-amine
CID 103290342
2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine
CID 103290282
4-butoxy-3,5-difluorobenzaldehyde
CID 79018256
4-butoxy-2,3,5,6-tetrafluorobenzoic acid
CID 4771143
2-ethyl-2-(methylamino)-5-(2,3,5,6-tetrafluorophenoxy)pentanenitrile
CID 106804976
2-butoxy-1,3-difluoro-5-[4-(4-methylphenyl)phenyl]benzene
CID 145222957
1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene
CID 58298374

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-1,2,4,5-tetrafluorobenzene?
The IUPAC name of 3-butoxy-1,2,4,5-tetrafluorobenzene (CID 22416140) is 3-butoxy-1,2,4,5-tetrafluorobenzene.
What is the SMILES notation for 3-butoxy-1,2,4,5-tetrafluorobenzene?
The canonical SMILES for 3-butoxy-1,2,4,5-tetrafluorobenzene is CCCCOc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 3-butoxy-1,2,4,5-tetrafluorobenzene?
The InChIKey is KQQGDVRFKWCJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4O/c1-2-3-4-15-10-8(13)6(11)5-7(12)9(10)14/h5H,2-4H2,1H3.
What are the key properties of 3-butoxy-1,2,4,5-tetrafluorobenzene?
3-butoxy-1,2,4,5-tetrafluorobenzene has a molecular weight of 222.18 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-1,2,4,5-tetrafluorobenzene is sourced from PubChem (CID 22416140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).