N-[1-(chloromethyl)cyclopentyl]-3-fluoropyridin-4-amine

C11H14ClFN2 — CID 164661353

IUPACN-[1-(chloromethyl)cyclopentyl]-3-fluoropyridin-4-amine
SMILESFc1cnccc1NC1(CCl)CCCC1
InChIInChI=1S/C11H14ClFN2/c12-8-11(4-1-2-5-11)15-10-3-6-14-7-9(10)13/h3,6-7H,1-2,4-5,8H2,(H,14,15)
InChIKeyFTYFNATYHBQQGT-UHFFFAOYSA-N
MW228.70 g/mol
LogP3.18
Rot. Bonds3

About N-[1-(chloromethyl)cyclopentyl]-3-fluoropyridin-4-amine

N-[1-(chloromethyl)cyclopentyl]-3-fluoropyridin-4-amine (PubChem CID 164661353) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]-3-fluoropyridin-4-amine.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]-3-fluoropyridin-4-amine
PubChem CID164661353
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC NameN-[1-(chloromethyl)cyclopentyl]-3-fluoropyridin-4-amine
SMILESFc1cnccc1NC1(CCl)CCCC1
InChIInChI=1S/C11H14ClFN2/c12-8-11(4-1-2-5-11)15-10-3-6-14-7-9(10)13/h3,6-7H,1-2,4-5,8H2,(H,14,15)
InChIKeyFTYFNATYHBQQGT-UHFFFAOYSA-N
XLogP3.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopentyl]-3-fluoropyridin-4-amine?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]-3-fluoropyridin-4-amine (CID 164661353) is N-[1-(chloromethyl)cyclopentyl]-3-fluoropyridin-4-amine.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]-3-fluoropyridin-4-amine?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]-3-fluoropyridin-4-amine is Fc1cnccc1NC1(CCl)CCCC1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]-3-fluoropyridin-4-amine?
The InChIKey is FTYFNATYHBQQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c12-8-11(4-1-2-5-11)15-10-3-6-14-7-9(10)13/h3,6-7H,1-2,4-5,8H2,(H,14,15).
What are the key properties of N-[1-(chloromethyl)cyclopentyl]-3-fluoropyridin-4-amine?
N-[1-(chloromethyl)cyclopentyl]-3-fluoropyridin-4-amine has a molecular weight of 228.70 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]-3-fluoropyridin-4-amine is sourced from PubChem (CID 164661353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).