1-(3-bromophenyl)-3,3-difluorocyclobutane-1-carbohydrazide

C11H11BrF2N2O — CID 155749454

IUPAC1-(3-bromophenyl)-3,3-difluorocyclobutane-1-carbohydrazide
SMILESNNC(=O)C1(c2cccc(Br)c2)CC(F)(F)C1
InChIInChI=1S/C11H11BrF2N2O/c12-8-3-1-2-7(4-8)10(9(17)16-15)5-11(13,14)6-10/h1-4H,5-6,15H2,(H,16,17)
InChIKeyUUONOPVDWOUKNH-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.11
Rot. Bonds2

About 1-(3-bromophenyl)-3,3-difluorocyclobutane-1-carbohydrazide

1-(3-bromophenyl)-3,3-difluorocyclobutane-1-carbohydrazide (PubChem CID 155749454) has the molecular formula C11H11BrF2N2O and a molecular weight of 305.12 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3,3-difluorocyclobutane-1-carbohydrazide.

Molecular Properties

Compound Name1-(3-bromophenyl)-3,3-difluorocyclobutane-1-carbohydrazide
PubChem CID155749454
Molecular FormulaC11H11BrF2N2O
Molecular Weight305.12 g/mol
Exact Mass304.00
IUPAC Name1-(3-bromophenyl)-3,3-difluorocyclobutane-1-carbohydrazide
SMILESNNC(=O)C1(c2cccc(Br)c2)CC(F)(F)C1
InChIInChI=1S/C11H11BrF2N2O/c12-8-3-1-2-7(4-8)10(9(17)16-15)5-11(13,14)6-10/h1-4H,5-6,15H2,(H,16,17)
InChIKeyUUONOPVDWOUKNH-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)cyclohexane-1-carbohydrazide
CID 116844534
2-[1-(3-bromophenyl)-3,3-difluorocyclobutyl]acetohydrazide
CID 139350236
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
1-(3-bromophenyl)-3,3-dimethylcyclobutane-1-carboxamide
CID 166079994
4-(3-bromophenyl)piperidine-4-carboxamide
CID 82307410
1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219
1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 134062174
1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 78855924
1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134062088
methyl 1-(3-bromophenyl)-3-hydroxy-3-methylcyclobutane-1-carboxylate
CID 158225865
1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide
CID 110887443
1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine
CID 115051018

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3,3-difluorocyclobutane-1-carbohydrazide?
The IUPAC name of 1-(3-bromophenyl)-3,3-difluorocyclobutane-1-carbohydrazide (CID 155749454) is 1-(3-bromophenyl)-3,3-difluorocyclobutane-1-carbohydrazide.
What is the SMILES notation for 1-(3-bromophenyl)-3,3-difluorocyclobutane-1-carbohydrazide?
The canonical SMILES for 1-(3-bromophenyl)-3,3-difluorocyclobutane-1-carbohydrazide is NNC(=O)C1(c2cccc(Br)c2)CC(F)(F)C1.
What is the InChIKey of 1-(3-bromophenyl)-3,3-difluorocyclobutane-1-carbohydrazide?
The InChIKey is UUONOPVDWOUKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N2O/c12-8-3-1-2-7(4-8)10(9(17)16-15)5-11(13,14)6-10/h1-4H,5-6,15H2,(H,16,17).
What are the key properties of 1-(3-bromophenyl)-3,3-difluorocyclobutane-1-carbohydrazide?
1-(3-bromophenyl)-3,3-difluorocyclobutane-1-carbohydrazide has a molecular weight of 305.12 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3,3-difluorocyclobutane-1-carbohydrazide is sourced from PubChem (CID 155749454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).