2-(2-chloroethyl)-N-(2-fluoroethyl)pentan-1-amine

C9H19ClFN — CID 106117043

IUPAC2-(2-chloroethyl)-N-(2-fluoroethyl)pentan-1-amine
SMILESCCCC(CCCl)CNCCF
InChIInChI=1S/C9H19ClFN/c1-2-3-9(4-5-10)8-12-7-6-11/h9,12H,2-8H2,1H3
InChIKeyBHQWFQPLJYUZMY-UHFFFAOYSA-N
MW195.71 g/mol
LogP2.59
Rot. Bonds8

About 2-(2-chloroethyl)-N-(2-fluoroethyl)pentan-1-amine

2-(2-chloroethyl)-N-(2-fluoroethyl)pentan-1-amine (PubChem CID 106117043) has the molecular formula C9H19ClFN and a molecular weight of 195.71 g/mol. Its IUPAC name is 2-(2-chloroethyl)-N-(2-fluoroethyl)pentan-1-amine.

Molecular Properties

Compound Name2-(2-chloroethyl)-N-(2-fluoroethyl)pentan-1-amine
PubChem CID106117043
Molecular FormulaC9H19ClFN
Molecular Weight195.71 g/mol
Exact Mass195.12
IUPAC Name2-(2-chloroethyl)-N-(2-fluoroethyl)pentan-1-amine
SMILESCCCC(CCCl)CNCCF
InChIInChI=1S/C9H19ClFN/c1-2-3-9(4-5-10)8-12-7-6-11/h9,12H,2-8H2,1H3
InChIKeyBHQWFQPLJYUZMY-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.71
LogP ≤ 52.59
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

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CID 85823862
4-(3-Chloropropyl)piperidine
CID 12096018
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CID 123310058
2-Chloro-3-fluoro-4-propan-2-ylpiperidine
CID 130205377
(5R,6S)-5-chloro-6-fluoro-N-methyl-3-propylheptan-1-amine
CID 156524655
3-(2-Chloro-4-methylheptan-3-yl)-3-fluoropyrrolidine
CID 166655146
4-Chloro-3-ethyl-5,5-difluoroazepane
CID 175586618
N-[(2-chlorocyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 65024571
N-[(2-chlorocyclohexyl)methyl]-2,2-difluoroethanamine
CID 65025224
N-[(2-chlorocyclopentyl)methyl]-2,2-difluoroethanamine
CID 65833469
N-[(2-chlorocyclopentyl)methyl]-2,2,2-trifluoroethanamine
CID 65833660
N-[(2-chlorocyclopentyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 65834274

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-N-(2-fluoroethyl)pentan-1-amine?
The IUPAC name of 2-(2-chloroethyl)-N-(2-fluoroethyl)pentan-1-amine (CID 106117043) is 2-(2-chloroethyl)-N-(2-fluoroethyl)pentan-1-amine.
What is the SMILES notation for 2-(2-chloroethyl)-N-(2-fluoroethyl)pentan-1-amine?
The canonical SMILES for 2-(2-chloroethyl)-N-(2-fluoroethyl)pentan-1-amine is CCCC(CCCl)CNCCF.
What is the InChIKey of 2-(2-chloroethyl)-N-(2-fluoroethyl)pentan-1-amine?
The InChIKey is BHQWFQPLJYUZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClFN/c1-2-3-9(4-5-10)8-12-7-6-11/h9,12H,2-8H2,1H3.
What are the key properties of 2-(2-chloroethyl)-N-(2-fluoroethyl)pentan-1-amine?
2-(2-chloroethyl)-N-(2-fluoroethyl)pentan-1-amine has a molecular weight of 195.71 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-N-(2-fluoroethyl)pentan-1-amine is sourced from PubChem (CID 106117043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).