7,7-dibromo-3-(3-fluoropropyl)-3-azabicyclo[4.1.0]heptane

C9H14Br2FN — CID 130708187

IUPAC7,7-dibromo-3-(3-fluoropropyl)-3-azabicyclo[4.1.0]heptane
SMILESFCCCN1CCC2C(C1)C2(Br)Br
InChIInChI=1S/C9H14Br2FN/c10-9(11)7-2-5-13(4-1-3-12)6-8(7)9/h7-8H,1-6H2
InChIKeyGVLTXJNHXUACMI-UHFFFAOYSA-N
MW315.02 g/mol
LogP2.78
Rot. Bonds3

About 7,7-dibromo-3-(3-fluoropropyl)-3-azabicyclo[4.1.0]heptane

7,7-dibromo-3-(3-fluoropropyl)-3-azabicyclo[4.1.0]heptane (PubChem CID 130708187) has the molecular formula C9H14Br2FN and a molecular weight of 315.02 g/mol. Its IUPAC name is 7,7-dibromo-3-(3-fluoropropyl)-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7,7-dibromo-3-(3-fluoropropyl)-3-azabicyclo[4.1.0]heptane
PubChem CID130708187
Molecular FormulaC9H14Br2FN
Molecular Weight315.02 g/mol
Exact Mass312.95
IUPAC Name7,7-dibromo-3-(3-fluoropropyl)-3-azabicyclo[4.1.0]heptane
SMILESFCCCN1CCC2C(C1)C2(Br)Br
InChIInChI=1S/C9H14Br2FN/c10-9(11)7-2-5-13(4-1-3-12)6-8(7)9/h7-8H,1-6H2
InChIKeyGVLTXJNHXUACMI-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.02
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1-(3-fluoropropyl)-4-methylpiperidine
CID 102960408
1-(3-fluoropropyl)-3-methylpiperidine
CID 127497514
3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane
CID 81114088
3-[2-(4-bromophenyl)ethyl]-1-(3-fluoropropyl)pyrrolidine
CID 163585810
(3S)-3-[(4-bromophenyl)-difluoromethyl]-1-(3-fluoropropyl)pyrrolidine
CID 170189794
[1-(3-fluoropropyl)piperidin-3-yl]methanamine
CID 81107283
[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl] carbamate
CID 175486162
(3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol
CID 124862124
1-(3-fluoropropyl)piperidine-3-carbaldehyde
CID 81114403
4-(2-bromoethoxy)-1-(3-fluoropropyl)piperidine
CID 82691461
1-(3-fluoropropyl)azetidin-3-amine
CID 81113645
(4-bromo-2-fluorophenyl)-[1-(3-fluoropropyl)pyrrolidin-3-yl]methanol
CID 169239690

Frequently Asked Questions

What is the IUPAC name of 7,7-dibromo-3-(3-fluoropropyl)-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 7,7-dibromo-3-(3-fluoropropyl)-3-azabicyclo[4.1.0]heptane (CID 130708187) is 7,7-dibromo-3-(3-fluoropropyl)-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 7,7-dibromo-3-(3-fluoropropyl)-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 7,7-dibromo-3-(3-fluoropropyl)-3-azabicyclo[4.1.0]heptane is FCCCN1CCC2C(C1)C2(Br)Br.
What is the InChIKey of 7,7-dibromo-3-(3-fluoropropyl)-3-azabicyclo[4.1.0]heptane?
The InChIKey is GVLTXJNHXUACMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Br2FN/c10-9(11)7-2-5-13(4-1-3-12)6-8(7)9/h7-8H,1-6H2.
What are the key properties of 7,7-dibromo-3-(3-fluoropropyl)-3-azabicyclo[4.1.0]heptane?
7,7-dibromo-3-(3-fluoropropyl)-3-azabicyclo[4.1.0]heptane has a molecular weight of 315.02 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dibromo-3-(3-fluoropropyl)-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 130708187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).