4-bromo-1-(cyclopropylmethoxy)-2-(difluoromethyl)benzene

C11H11BrF2O — CID 165416562

IUPAC4-bromo-1-(cyclopropylmethoxy)-2-(difluoromethyl)benzene
SMILESFC(F)c1cc(Br)ccc1OCC1CC1
InChIInChI=1S/C11H11BrF2O/c12-8-3-4-10(9(5-8)11(13)14)15-6-7-1-2-7/h3-5,7,11H,1-2,6H2
InChIKeyAEADPFLBWANULH-UHFFFAOYSA-N
MW277.11 g/mol
LogP4.18
Rot. Bonds4

About 4-bromo-1-(cyclopropylmethoxy)-2-(difluoromethyl)benzene

4-bromo-1-(cyclopropylmethoxy)-2-(difluoromethyl)benzene (PubChem CID 165416562) has the molecular formula C11H11BrF2O and a molecular weight of 277.11 g/mol. Its IUPAC name is 4-bromo-1-(cyclopropylmethoxy)-2-(difluoromethyl)benzene.

Molecular Properties

Compound Name4-bromo-1-(cyclopropylmethoxy)-2-(difluoromethyl)benzene
PubChem CID165416562
Molecular FormulaC11H11BrF2O
Molecular Weight277.11 g/mol
Exact Mass276.00
IUPAC Name4-bromo-1-(cyclopropylmethoxy)-2-(difluoromethyl)benzene
SMILESFC(F)c1cc(Br)ccc1OCC1CC1
InChIInChI=1S/C11H11BrF2O/c12-8-3-4-10(9(5-8)11(13)14)15-6-7-1-2-7/h3-5,7,11H,1-2,6H2
InChIKeyAEADPFLBWANULH-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(cyclohexylmethoxy)-3-(difluoromethyl)aniline
CID 63734479
(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 102946973
1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63500340
4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene
CID 147305100
1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol
CID 117499840
N-[1-[5-bromo-2-(oxan-4-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 62386930
2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 60906211
(3S)-3-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrrolidine
CID 86320109
(1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 63365892
1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 62378836
4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene
CID 63442485
3-[5-bromo-2-(cyclopropylmethoxy)phenyl]propanal
CID 117454997

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(cyclopropylmethoxy)-2-(difluoromethyl)benzene?
The IUPAC name of 4-bromo-1-(cyclopropylmethoxy)-2-(difluoromethyl)benzene (CID 165416562) is 4-bromo-1-(cyclopropylmethoxy)-2-(difluoromethyl)benzene.
What is the SMILES notation for 4-bromo-1-(cyclopropylmethoxy)-2-(difluoromethyl)benzene?
The canonical SMILES for 4-bromo-1-(cyclopropylmethoxy)-2-(difluoromethyl)benzene is FC(F)c1cc(Br)ccc1OCC1CC1.
What is the InChIKey of 4-bromo-1-(cyclopropylmethoxy)-2-(difluoromethyl)benzene?
The InChIKey is AEADPFLBWANULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2O/c12-8-3-4-10(9(5-8)11(13)14)15-6-7-1-2-7/h3-5,7,11H,1-2,6H2.
What are the key properties of 4-bromo-1-(cyclopropylmethoxy)-2-(difluoromethyl)benzene?
4-bromo-1-(cyclopropylmethoxy)-2-(difluoromethyl)benzene has a molecular weight of 277.11 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(cyclopropylmethoxy)-2-(difluoromethyl)benzene is sourced from PubChem (CID 165416562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).