N-(2-bromo-2,2-difluoroethyl)-2-methylcyclopentan-1-amine

C8H14BrF2N — CID 130709137

IUPACN-(2-bromo-2,2-difluoroethyl)-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCC(F)(F)Br
InChIInChI=1S/C8H14BrF2N/c1-6-3-2-4-7(6)12-5-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyKBCHVBGQMLIYHT-UHFFFAOYSA-N
MW242.11 g/mol
LogP2.75
Rot. Bonds3

About N-(2-bromo-2,2-difluoroethyl)-2-methylcyclopentan-1-amine

N-(2-bromo-2,2-difluoroethyl)-2-methylcyclopentan-1-amine (PubChem CID 130709137) has the molecular formula C8H14BrF2N and a molecular weight of 242.11 g/mol. Its IUPAC name is N-(2-bromo-2,2-difluoroethyl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(2-bromo-2,2-difluoroethyl)-2-methylcyclopentan-1-amine
PubChem CID130709137
Molecular FormulaC8H14BrF2N
Molecular Weight242.11 g/mol
Exact Mass241.03
IUPAC NameN-(2-bromo-2,2-difluoroethyl)-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCC(F)(F)Br
InChIInChI=1S/C8H14BrF2N/c1-6-3-2-4-7(6)12-5-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyKBCHVBGQMLIYHT-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 63278251
trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine
CID 71351363
N-(2-ethyl-2-methylsulfanylbutyl)-2-methylcyclopentan-1-amine
CID 115689631
N,N,2,2-tetramethyl-N'-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine
CID 96923102
1-[(2-methylcyclopentyl)amino]-2-phenylpropan-2-ol
CID 63277919
2-methyl-1-[(2-methylcycloheptyl)amino]butan-2-ol
CID 114493275
trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 95377382
2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
CID 103792995
N-ethyl-2-methylcyclohexan-1-amine;hydrochloride
CID 50988234
N-(2,2-dimethylpropyl)-2-methylcyclobutan-1-amine
CID 130171534
2-methyl-N-[(2-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107417002
1-[(2-methylcyclopentyl)amino]-2-thiophen-2-ylpropan-2-ol
CID 115689454

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2,2-difluoroethyl)-2-methylcyclopentan-1-amine?
The IUPAC name of N-(2-bromo-2,2-difluoroethyl)-2-methylcyclopentan-1-amine (CID 130709137) is N-(2-bromo-2,2-difluoroethyl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-(2-bromo-2,2-difluoroethyl)-2-methylcyclopentan-1-amine?
The canonical SMILES for N-(2-bromo-2,2-difluoroethyl)-2-methylcyclopentan-1-amine is CC1CCCC1NCC(F)(F)Br.
What is the InChIKey of N-(2-bromo-2,2-difluoroethyl)-2-methylcyclopentan-1-amine?
The InChIKey is KBCHVBGQMLIYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrF2N/c1-6-3-2-4-7(6)12-5-8(9,10)11/h6-7,12H,2-5H2,1H3.
What are the key properties of N-(2-bromo-2,2-difluoroethyl)-2-methylcyclopentan-1-amine?
N-(2-bromo-2,2-difluoroethyl)-2-methylcyclopentan-1-amine has a molecular weight of 242.11 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2,2-difluoroethyl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 130709137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).