N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-difluoroethanamine

C9H16ClF2N — CID 115363272

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCC1(CCl)CCCC1
InChIInChI=1S/C9H16ClF2N/c10-6-9(3-1-2-4-9)7-13-5-8(11)12/h8,13H,1-7H2
InChIKeyCDXOIYVWRXCUNN-UHFFFAOYSA-N
MW211.68 g/mol
LogP2.64
Rot. Bonds5

About N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-difluoroethanamine

N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-difluoroethanamine (PubChem CID 115363272) has the molecular formula C9H16ClF2N and a molecular weight of 211.68 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-difluoroethanamine
PubChem CID115363272
Molecular FormulaC9H16ClF2N
Molecular Weight211.68 g/mol
Exact Mass211.09
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCC1(CCl)CCCC1
InChIInChI=1S/C9H16ClF2N/c10-6-9(3-1-2-4-9)7-13-5-8(11)12/h8,13H,1-7H2
InChIKeyCDXOIYVWRXCUNN-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.68
LogP ≤ 52.64
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

N-[[1-(chloromethyl)cyclopentyl]methyl]-3,3,3-trifluoropropan-1-amine
CID 115363319
1-[1-(chloromethyl)cyclobutyl]-N-methylmethanamine
CID 130744589
N-[[1-(chloromethyl)cyclopentyl]methyl]-4,4,4-trifluorobutan-1-amine
CID 115518503
1-(chloromethyl)-N-(2,2-difluoroethyl)cyclopentan-1-amine
CID 65025598
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine
CID 115363404
N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbut-2-en-1-amine
CID 107901161
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoroethanamine
CID 115455705
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine
CID 104649791
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine
CID 115363368
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine
CID 103969204
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-dichlorophenyl)methanamine
CID 113359870
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide
CID 103969430

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-difluoroethanamine (CID 115363272) is N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-difluoroethanamine is FC(F)CNCC1(CCl)CCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-difluoroethanamine?
The InChIKey is CDXOIYVWRXCUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClF2N/c10-6-9(3-1-2-4-9)7-13-5-8(11)12/h8,13H,1-7H2.
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-difluoroethanamine?
N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-difluoroethanamine has a molecular weight of 211.68 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 115363272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).