1-bromo-2-cyclohexyloxy-3,5-difluorobenzene

C12H13BrF2O — CID 146004216

IUPAC1-bromo-2-cyclohexyloxy-3,5-difluorobenzene
SMILESFc1cc(F)c(OC2CCCCC2)c(Br)c1
InChIInChI=1S/C12H13BrF2O/c13-10-6-8(14)7-11(15)12(10)16-9-4-2-1-3-5-9/h6-7,9H,1-5H2
InChIKeyCCUUIEVURUBTGF-UHFFFAOYSA-N
MW291.13 g/mol
LogP4.44
Rot. Bonds2

About 1-bromo-2-cyclohexyloxy-3,5-difluorobenzene

1-bromo-2-cyclohexyloxy-3,5-difluorobenzene (PubChem CID 146004216) has the molecular formula C12H13BrF2O and a molecular weight of 291.13 g/mol. Its IUPAC name is 1-bromo-2-cyclohexyloxy-3,5-difluorobenzene.

Molecular Properties

Compound Name1-bromo-2-cyclohexyloxy-3,5-difluorobenzene
PubChem CID146004216
Molecular FormulaC12H13BrF2O
Molecular Weight291.13 g/mol
Exact Mass290.01
IUPAC Name1-bromo-2-cyclohexyloxy-3,5-difluorobenzene
SMILESFc1cc(F)c(OC2CCCCC2)c(Br)c1
InChIInChI=1S/C12H13BrF2O/c13-10-6-8(14)7-11(15)12(10)16-9-4-2-1-3-5-9/h6-7,9H,1-5H2
InChIKeyCCUUIEVURUBTGF-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine
CID 117486544
5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene
CID 79888123
4-cyclobutyloxy-3,5-difluoroaniline
CID 62115960
1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine
CID 117486565
1-bromo-3-cyclohexyloxy-5-fluorobenzene
CID 81332187
(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methanol
CID 84710384
3,5-dibromo-4-cyclopentyloxybenzaldehyde
CID 107738345
2-(4-cycloheptyloxy-3,5-difluorophenyl)ethanamine
CID 82930013
N-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine
CID 117441591
2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol
CID 117468296
2-cyclopropyloxy-1,5-difluoro-3-propan-2-ylbenzene
CID 164786407
3,5-dibromo-4-cyclopentyloxybenzoic acid
CID 107738683

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-cyclohexyloxy-3,5-difluorobenzene?
The IUPAC name of 1-bromo-2-cyclohexyloxy-3,5-difluorobenzene (CID 146004216) is 1-bromo-2-cyclohexyloxy-3,5-difluorobenzene.
What is the SMILES notation for 1-bromo-2-cyclohexyloxy-3,5-difluorobenzene?
The canonical SMILES for 1-bromo-2-cyclohexyloxy-3,5-difluorobenzene is Fc1cc(F)c(OC2CCCCC2)c(Br)c1.
What is the InChIKey of 1-bromo-2-cyclohexyloxy-3,5-difluorobenzene?
The InChIKey is CCUUIEVURUBTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2O/c13-10-6-8(14)7-11(15)12(10)16-9-4-2-1-3-5-9/h6-7,9H,1-5H2.
What are the key properties of 1-bromo-2-cyclohexyloxy-3,5-difluorobenzene?
1-bromo-2-cyclohexyloxy-3,5-difluorobenzene has a molecular weight of 291.13 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-cyclohexyloxy-3,5-difluorobenzene is sourced from PubChem (CID 146004216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).