5-bromo-1,2-difluoro-3-[(4-propylcyclohexyl)methoxy]benzene

C16H21BrF2O — CID 134464969

IUPAC5-bromo-1,2-difluoro-3-[(4-propylcyclohexyl)methoxy]benzene
SMILESCCCC1CCC(COc2cc(Br)cc(F)c2F)CC1
InChIInChI=1S/C16H21BrF2O/c1-2-3-11-4-6-12(7-5-11)10-20-15-9-13(17)8-14(18)16(15)19/h8-9,11-12H,2-7,10H2,1H3
InChIKeyGQIVFRSUAVFDDS-UHFFFAOYSA-N
MW347.24 g/mol
LogP5.71
Rot. Bonds5

About 5-bromo-1,2-difluoro-3-[(4-propylcyclohexyl)methoxy]benzene

5-bromo-1,2-difluoro-3-[(4-propylcyclohexyl)methoxy]benzene (PubChem CID 134464969) has the molecular formula C16H21BrF2O and a molecular weight of 347.24 g/mol. Its IUPAC name is 5-bromo-1,2-difluoro-3-[(4-propylcyclohexyl)methoxy]benzene.

Molecular Properties

Compound Name5-bromo-1,2-difluoro-3-[(4-propylcyclohexyl)methoxy]benzene
PubChem CID134464969
Molecular FormulaC16H21BrF2O
Molecular Weight347.24 g/mol
Exact Mass346.07
IUPAC Name5-bromo-1,2-difluoro-3-[(4-propylcyclohexyl)methoxy]benzene
SMILESCCCC1CCC(COc2cc(Br)cc(F)c2F)CC1
InChIInChI=1S/C16H21BrF2O/c1-2-3-11-4-6-12(7-5-11)10-20-15-9-13(17)8-14(18)16(15)19/h8-9,11-12H,2-7,10H2,1H3
InChIKeyGQIVFRSUAVFDDS-UHFFFAOYSA-N
XLogP5.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.24
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-decoxy-2,3-difluorobenzene
CID 107098815
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde
CID 102522412
1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran
CID 140909283
3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene
CID 134473076
1,2,4-trifluoro-5-[(4-pentylcyclohexyl)methoxy]benzene
CID 15250368
2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile
CID 23052003
7-butoxy-1,2-difluoro-3-[(4-propylcyclohexyl)methoxy]-8-(trifluoromethyl)naphthalene
CID 59356976
1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol
CID 107100783
1,2,8-trifluoro-3-methyl-7-[(4-propylcyclohexyl)methoxy]biphenylene
CID 134465092
1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene
CID 67806514
3,4,5-trifluoro-6-[(4-propylcyclohexyl)methoxy]biphenylen-2-ol
CID 134473056

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,2-difluoro-3-[(4-propylcyclohexyl)methoxy]benzene?
The IUPAC name of 5-bromo-1,2-difluoro-3-[(4-propylcyclohexyl)methoxy]benzene (CID 134464969) is 5-bromo-1,2-difluoro-3-[(4-propylcyclohexyl)methoxy]benzene.
What is the SMILES notation for 5-bromo-1,2-difluoro-3-[(4-propylcyclohexyl)methoxy]benzene?
The canonical SMILES for 5-bromo-1,2-difluoro-3-[(4-propylcyclohexyl)methoxy]benzene is CCCC1CCC(COc2cc(Br)cc(F)c2F)CC1.
What is the InChIKey of 5-bromo-1,2-difluoro-3-[(4-propylcyclohexyl)methoxy]benzene?
The InChIKey is GQIVFRSUAVFDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrF2O/c1-2-3-11-4-6-12(7-5-11)10-20-15-9-13(17)8-14(18)16(15)19/h8-9,11-12H,2-7,10H2,1H3.
What are the key properties of 5-bromo-1,2-difluoro-3-[(4-propylcyclohexyl)methoxy]benzene?
5-bromo-1,2-difluoro-3-[(4-propylcyclohexyl)methoxy]benzene has a molecular weight of 347.24 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,2-difluoro-3-[(4-propylcyclohexyl)methoxy]benzene is sourced from PubChem (CID 134464969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).