N-(2-bromocyclopentyl)-3,3-difluorocyclobutane-1-carboxamide

C10H14BrF2NO — CID 130847641

IUPACN-(2-bromocyclopentyl)-3,3-difluorocyclobutane-1-carboxamide
SMILESO=C(NC1CCCC1Br)C1CC(F)(F)C1
InChIInChI=1S/C10H14BrF2NO/c11-7-2-1-3-8(7)14-9(15)6-4-10(12,13)5-6/h6-8H,1-5H2,(H,14,15)
InChIKeySFNLCNRKKSWWCY-UHFFFAOYSA-N
MW282.13 g/mol
LogP2.46
Rot. Bonds2

About N-(2-bromocyclopentyl)-3,3-difluorocyclobutane-1-carboxamide

N-(2-bromocyclopentyl)-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 130847641) has the molecular formula C10H14BrF2NO and a molecular weight of 282.13 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-3,3-difluorocyclobutane-1-carboxamide
PubChem CID130847641
Molecular FormulaC10H14BrF2NO
Molecular Weight282.13 g/mol
Exact Mass281.02
IUPAC NameN-(2-bromocyclopentyl)-3,3-difluorocyclobutane-1-carboxamide
SMILESO=C(NC1CCCC1Br)C1CC(F)(F)C1
InChIInChI=1S/C10H14BrF2NO/c11-7-2-1-3-8(7)14-9(15)6-4-10(12,13)5-6/h6-8H,1-5H2,(H,14,15)
InChIKeySFNLCNRKKSWWCY-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-(2-bromocyclopentyl)-3,3-difluorocyclobutane-1-carboxamide (CID 130847641) is N-(2-bromocyclopentyl)-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-(2-bromocyclopentyl)-3,3-difluorocyclobutane-1-carboxamide is O=C(NC1CCCC1Br)C1CC(F)(F)C1.
What is the InChIKey of N-(2-bromocyclopentyl)-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is SFNLCNRKKSWWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrF2NO/c11-7-2-1-3-8(7)14-9(15)6-4-10(12,13)5-6/h6-8H,1-5H2,(H,14,15).
What are the key properties of N-(2-bromocyclopentyl)-3,3-difluorocyclobutane-1-carboxamide?
N-(2-bromocyclopentyl)-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 282.13 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 130847641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).