1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane

C12H15BrF2 — CID 167467914

IUPAC1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane
SMILESCC.FC1(F)CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C10H9BrF2.C2H6/c11-9-3-1-7(2-4-9)8-5-10(12,13)6-8;1-2/h1-4,8H,5-6H2;1-2H3
InChIKeyBKNPZHOKIQGJQL-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.99
Rot. Bonds1

About 1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane

1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane (PubChem CID 167467914) has the molecular formula C12H15BrF2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane.

Molecular Properties

Compound Name1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane
PubChem CID167467914
Molecular FormulaC12H15BrF2
Molecular Weight277.15 g/mol
Exact Mass276.03
IUPAC Name1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane
SMILESCC.FC1(F)CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C10H9BrF2.C2H6/c11-9-3-1-7(2-4-9)8-5-10(12,13)6-8;1-2/h1-4,8H,5-6H2;1-2H3
InChIKeyBKNPZHOKIQGJQL-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(bromomethyl)-4-(3,3-difluorocyclobutyl)benzene
CID 134163283
3-(4-bromophenyl)cyclobutan-1-one;ethane
CID 142378468
3-(4-bromophenyl)-1-cyclopropylcyclobutan-1-ol
CID 58034308
3-(4-bromophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide
CID 177227583
1-bromo-4-(3,3-difluorocyclobutyl)oxybenzene
CID 118560278
1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride
CID 66919211
1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228
4-(4-bromophenyl)piperidine;hydrochloride
CID 44630758
2-(4-bromophenyl)-1-methylsulfanylbicyclo[1.1.0]butane
CID 175060920
4-bromo-2-(3,3-difluorocyclobutyl)pyridine
CID 167511633
1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene
CID 59166669
4-(4-bromophenyl)-1-(1,1,1-trifluoropropan-2-yl)piperidine
CID 168993350

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane?
The IUPAC name of 1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane (CID 167467914) is 1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane.
What is the SMILES notation for 1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane?
The canonical SMILES for 1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane is CC.FC1(F)CC(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane?
The InChIKey is BKNPZHOKIQGJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2.C2H6/c11-9-3-1-7(2-4-9)8-5-10(12,13)6-8;1-2/h1-4,8H,5-6H2;1-2H3.
What are the key properties of 1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane?
1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane has a molecular weight of 277.15 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane is sourced from PubChem (CID 167467914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).