N-[[1-(chloromethyl)cyclopentyl]methyl]-3,3,3-trifluoropropan-1-amine

C10H17ClF3N — CID 115363319

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCC1(CCl)CCCC1
InChIInChI=1S/C10H17ClF3N/c11-7-9(3-1-2-4-9)8-15-6-5-10(12,13)14/h15H,1-8H2
InChIKeyZXTJWCPFRXRCEN-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.33
Rot. Bonds5

About N-[[1-(chloromethyl)cyclopentyl]methyl]-3,3,3-trifluoropropan-1-amine

N-[[1-(chloromethyl)cyclopentyl]methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 115363319) has the molecular formula C10H17ClF3N and a molecular weight of 243.70 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID115363319
Molecular FormulaC10H17ClF3N
Molecular Weight243.70 g/mol
Exact Mass243.10
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCC1(CCl)CCCC1
InChIInChI=1S/C10H17ClF3N/c11-7-9(3-1-2-4-9)8-15-6-5-10(12,13)14/h15H,1-8H2
InChIKeyZXTJWCPFRXRCEN-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.33
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]-4,4,4-trifluorobutan-1-amine
CID 115518503
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoroethanamine
CID 115455705
N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-difluoroethanamine
CID 115363272
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine
CID 104649791
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethoxypropan-1-amine
CID 103969068
1-[1-(chloromethyl)cyclobutyl]-N-methylmethanamine
CID 130744589
4,4,4-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
CID 113327713
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine
CID 115363404
1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-amine
CID 115520144
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine
CID 103969204
3-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
CID 65121175
N-[[1-(chloromethyl)cyclopentyl]methyl]-2-pyrazol-1-ylethanamine
CID 115363274

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-3,3,3-trifluoropropan-1-amine (CID 115363319) is N-[[1-(chloromethyl)cyclopentyl]methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-3,3,3-trifluoropropan-1-amine is FC(F)(F)CCNCC1(CCl)CCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is ZXTJWCPFRXRCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3N/c11-7-9(3-1-2-4-9)8-15-6-5-10(12,13)14/h15H,1-8H2.
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-3,3,3-trifluoropropan-1-amine?
N-[[1-(chloromethyl)cyclopentyl]methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 243.70 g/mol, XLogP of 3.33, 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]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 115363319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).