azane;1-bromo-3-fluoro-5-(1-methylcyclopropyl)benzene

C10H13BrFN — CID 175348081

IUPACazane;1-bromo-3-fluoro-5-(1-methylcyclopropyl)benzene
SMILESCC1(c2cc(F)cc(Br)c2)CC1.N
InChIInChI=1S/C10H10BrF.H3N/c1-10(2-3-10)7-4-8(11)6-9(12)5-7;/h4-6H,2-3H2,1H3;1H3
InChIKeyKCPBPHBNMWSZHO-UHFFFAOYSA-N
MW246.12 g/mol
LogP3.80
Rot. Bonds1

About azane;1-bromo-3-fluoro-5-(1-methylcyclopropyl)benzene

azane;1-bromo-3-fluoro-5-(1-methylcyclopropyl)benzene (PubChem CID 175348081) has the molecular formula C10H13BrFN and a molecular weight of 246.12 g/mol. Its IUPAC name is azane;1-bromo-3-fluoro-5-(1-methylcyclopropyl)benzene.

Molecular Properties

Compound Nameazane;1-bromo-3-fluoro-5-(1-methylcyclopropyl)benzene
PubChem CID175348081
Molecular FormulaC10H13BrFN
Molecular Weight246.12 g/mol
Exact Mass245.02
IUPAC Nameazane;1-bromo-3-fluoro-5-(1-methylcyclopropyl)benzene
SMILESCC1(c2cc(F)cc(Br)c2)CC1.N
InChIInChI=1S/C10H10BrF.H3N/c1-10(2-3-10)7-4-8(11)6-9(12)5-7;/h4-6H,2-3H2,1H3;1H3
InChIKeyKCPBPHBNMWSZHO-UHFFFAOYSA-N
XLogP3.80
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azane;1-bromo-3-fluoro-5-(1-methylcyclopropyl)benzene?
The IUPAC name of azane;1-bromo-3-fluoro-5-(1-methylcyclopropyl)benzene (CID 175348081) is azane;1-bromo-3-fluoro-5-(1-methylcyclopropyl)benzene.
What is the SMILES notation for azane;1-bromo-3-fluoro-5-(1-methylcyclopropyl)benzene?
The canonical SMILES for azane;1-bromo-3-fluoro-5-(1-methylcyclopropyl)benzene is CC1(c2cc(F)cc(Br)c2)CC1.N.
What is the InChIKey of azane;1-bromo-3-fluoro-5-(1-methylcyclopropyl)benzene?
The InChIKey is KCPBPHBNMWSZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF.H3N/c1-10(2-3-10)7-4-8(11)6-9(12)5-7;/h4-6H,2-3H2,1H3;1H3.
What are the key properties of azane;1-bromo-3-fluoro-5-(1-methylcyclopropyl)benzene?
azane;1-bromo-3-fluoro-5-(1-methylcyclopropyl)benzene has a molecular weight of 246.12 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-bromo-3-fluoro-5-(1-methylcyclopropyl)benzene is sourced from PubChem (CID 175348081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).