1-bromo-2-(2,2,3,3,3-pentafluoropropoxy)benzene

C9H6BrF5O — CID 95757097

IUPAC1-bromo-2-(2,2,3,3,3-pentafluoropropoxy)benzene
SMILESFC(F)(F)C(F)(F)COc1ccccc1Br
InChIInChI=1S/C9H6BrF5O/c10-6-3-1-2-4-7(6)16-5-8(11,12)9(13,14)15/h1-4H,5H2
InChIKeySEZDSMVBFMKFIW-UHFFFAOYSA-N
MW305.04 g/mol
LogP4.03
Rot. Bonds3

About 1-bromo-2-(2,2,3,3,3-pentafluoropropoxy)benzene

1-bromo-2-(2,2,3,3,3-pentafluoropropoxy)benzene (PubChem CID 95757097) has the molecular formula C9H6BrF5O and a molecular weight of 305.04 g/mol. Its IUPAC name is 1-bromo-2-(2,2,3,3,3-pentafluoropropoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-(2,2,3,3,3-pentafluoropropoxy)benzene
PubChem CID95757097
Molecular FormulaC9H6BrF5O
Molecular Weight305.04 g/mol
Exact Mass303.95
IUPAC Name1-bromo-2-(2,2,3,3,3-pentafluoropropoxy)benzene
SMILESFC(F)(F)C(F)(F)COc1ccccc1Br
InChIInChI=1S/C9H6BrF5O/c10-6-3-1-2-4-7(6)16-5-8(11,12)9(13,14)15/h1-4H,5H2
InChIKeySEZDSMVBFMKFIW-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.04
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-iodo-1-(2,2,3,3,3-pentafluoropropoxy)benzene
CID 165412330
CID 67791687
CID 67791687
1-bromo-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene
CID 116616006
3-(2-bromophenoxy)-2,2-dimethylpropan-1-amine
CID 79018649
(2-bromophenoxy)methyl-trifluoro-λ4-sulfane
CID 175094487
(2-bromophenoxy)methanamine
CID 57278354
1-bromo-2-chloro-3-(2,2,2-trifluoroethoxy)benzene
CID 156587176
1-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperazine
CID 173335330
N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79627719
1-bromo-2-[difluoro(iodo)methoxy]benzene
CID 15507519
1-bromo-2-(3-chloropropoxy)benzene
CID 22048648
1-bromo-2-(3,3-dimethylbutoxy)benzene
CID 63530273

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2,2,3,3,3-pentafluoropropoxy)benzene?
The IUPAC name of 1-bromo-2-(2,2,3,3,3-pentafluoropropoxy)benzene (CID 95757097) is 1-bromo-2-(2,2,3,3,3-pentafluoropropoxy)benzene.
What is the SMILES notation for 1-bromo-2-(2,2,3,3,3-pentafluoropropoxy)benzene?
The canonical SMILES for 1-bromo-2-(2,2,3,3,3-pentafluoropropoxy)benzene is FC(F)(F)C(F)(F)COc1ccccc1Br.
What is the InChIKey of 1-bromo-2-(2,2,3,3,3-pentafluoropropoxy)benzene?
The InChIKey is SEZDSMVBFMKFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF5O/c10-6-3-1-2-4-7(6)16-5-8(11,12)9(13,14)15/h1-4H,5H2.
What are the key properties of 1-bromo-2-(2,2,3,3,3-pentafluoropropoxy)benzene?
1-bromo-2-(2,2,3,3,3-pentafluoropropoxy)benzene has a molecular weight of 305.04 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2,2,3,3,3-pentafluoropropoxy)benzene is sourced from PubChem (CID 95757097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).