N-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoroethanamine

C7H13ClFN — CID 115455705

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoroethanamine
SMILESFCCNCC1(CCl)CC1
InChIInChI=1S/C7H13ClFN/c8-5-7(1-2-7)6-10-4-3-9/h10H,1-6H2
InChIKeyCAIQZHKDCAZMTF-UHFFFAOYSA-N
MW165.64 g/mol
LogP1.56
Rot. Bonds5

About N-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoroethanamine

N-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoroethanamine (PubChem CID 115455705) has the molecular formula C7H13ClFN and a molecular weight of 165.64 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoroethanamine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoroethanamine
PubChem CID115455705
Molecular FormulaC7H13ClFN
Molecular Weight165.64 g/mol
Exact Mass165.07
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoroethanamine
SMILESFCCNCC1(CCl)CC1
InChIInChI=1S/C7H13ClFN/c8-5-7(1-2-7)6-10-4-3-9/h10H,1-6H2
InChIKeyCAIQZHKDCAZMTF-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.64
LogP ≤ 51.56
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

[1-[(2-fluoroethylamino)methyl]cyclopropyl]methanol
CID 115454656
1-(chloromethyl)-1-(fluoromethyl)cyclopropane
CID 22602666
N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine
CID 115455602
N-[[1-(chloromethyl)cyclopentyl]methyl]-3,3,3-trifluoropropan-1-amine
CID 115363319
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine
CID 106457795
N-[[1-(chloromethyl)cyclopentyl]methyl]-4,4,4-trifluorobutan-1-amine
CID 115518503
2-tert-butylsulfonyl-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine
CID 106731237
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine
CID 115455557
N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-difluoroethanamine
CID 115363272
N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine
CID 114757564
1-[(2-fluoroethylamino)methyl]cyclopentan-1-amine
CID 130504614
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,5-dimethylphenyl)methanamine
CID 115455608

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoroethanamine?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoroethanamine (CID 115455705) is N-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoroethanamine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoroethanamine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoroethanamine is FCCNCC1(CCl)CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoroethanamine?
The InChIKey is CAIQZHKDCAZMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClFN/c8-5-7(1-2-7)6-10-4-3-9/h10H,1-6H2.
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoroethanamine?
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoroethanamine has a molecular weight of 165.64 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoroethanamine is sourced from PubChem (CID 115455705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).