N-[[1-(chloromethyl)cyclopentyl]methyl]-4,4,4-trifluorobutan-1-amine

C11H19ClF3N — CID 115518503

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-4,4,4-trifluorobutan-1-amine
SMILESFC(F)(F)CCCNCC1(CCl)CCCC1
InChIInChI=1S/C11H19ClF3N/c12-8-10(4-1-2-5-10)9-16-7-3-6-11(13,14)15/h16H,1-9H2
InChIKeyFJLPGJKQCIVEOO-UHFFFAOYSA-N
MW257.73 g/mol
LogP3.72
Rot. Bonds6

About N-[[1-(chloromethyl)cyclopentyl]methyl]-4,4,4-trifluorobutan-1-amine

N-[[1-(chloromethyl)cyclopentyl]methyl]-4,4,4-trifluorobutan-1-amine (PubChem CID 115518503) has the molecular formula C11H19ClF3N and a molecular weight of 257.73 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-4,4,4-trifluorobutan-1-amine
PubChem CID115518503
Molecular FormulaC11H19ClF3N
Molecular Weight257.73 g/mol
Exact Mass257.12
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-4,4,4-trifluorobutan-1-amine
SMILESFC(F)(F)CCCNCC1(CCl)CCCC1
InChIInChI=1S/C11H19ClF3N/c12-8-10(4-1-2-5-10)9-16-7-3-6-11(13,14)15/h16H,1-9H2
InChIKeyFJLPGJKQCIVEOO-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.73
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-amine
CID 115520144
4,4,4-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
CID 113327713
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine
CID 104649791
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethoxypropan-1-amine
CID 103969068
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoroethanamine
CID 115455705
N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-difluoroethanamine
CID 115363272
4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine
CID 115513806
N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine
CID 115455602
4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine
CID 106981968
1-[1-(chloromethyl)cyclobutyl]-N-methylmethanamine
CID 130744589
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine
CID 115363368

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-4,4,4-trifluorobutan-1-amine (CID 115518503) is N-[[1-(chloromethyl)cyclopentyl]methyl]-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-4,4,4-trifluorobutan-1-amine is FC(F)(F)CCCNCC1(CCl)CCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-4,4,4-trifluorobutan-1-amine?
The InChIKey is FJLPGJKQCIVEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF3N/c12-8-10(4-1-2-5-10)9-16-7-3-6-11(13,14)15/h16H,1-9H2.
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-4,4,4-trifluorobutan-1-amine?
N-[[1-(chloromethyl)cyclopentyl]methyl]-4,4,4-trifluorobutan-1-amine has a molecular weight of 257.73 g/mol, XLogP of 3.72, 6 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]-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 115518503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).