6-chloro-N-(2-fluoroethyl)hexan-1-amine

C8H17ClFN — CID 107845571

IUPAC6-chloro-N-(2-fluoroethyl)hexan-1-amine
SMILESFCCNCCCCCCCl
InChIInChI=1S/C8H17ClFN/c9-5-3-1-2-4-7-11-8-6-10/h11H,1-8H2
InChIKeyFVOZVOLFCQUNDG-UHFFFAOYSA-N
MW181.68 g/mol
LogP2.34
Rot. Bonds8

About 6-chloro-N-(2-fluoroethyl)hexan-1-amine

6-chloro-N-(2-fluoroethyl)hexan-1-amine (PubChem CID 107845571) has the molecular formula C8H17ClFN and a molecular weight of 181.68 g/mol. Its IUPAC name is 6-chloro-N-(2-fluoroethyl)hexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-(2-fluoroethyl)hexan-1-amine
PubChem CID107845571
Molecular FormulaC8H17ClFN
Molecular Weight181.68 g/mol
Exact Mass181.10
IUPAC Name6-chloro-N-(2-fluoroethyl)hexan-1-amine
SMILESFCCNCCCCCCCl
InChIInChI=1S/C8H17ClFN/c9-5-3-1-2-4-7-11-8-6-10/h11H,1-8H2
InChIKeyFVOZVOLFCQUNDG-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.68
LogP ≤ 52.34
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'-(4-chlorobutyl)ethane-1,2-diamine
CID 143067580
N'-(5-chloropentyl)hexadecane-1,16-diamine;dihydrochloride
CID 162312314
4-bromo-N-(2-fluoroethyl)butan-1-amine
CID 106844819
N'-(2-fluoroethyl)ethane-1,2-diamine
CID 80696987
3-(6-chlorohexylamino)propane-1-sulfonic acid
CID 150387365
3-bromo-N-(2-fluoroethyl)propan-1-amine
CID 114293418
4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 106844209
5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine
CID 107319832
7-chloro-N-methylheptan-1-amine
CID 55301648
6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine
CID 114008238
N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine
CID 107319870
N-(2-fluoroethyl)-4-methylpentan-1-amine
CID 80695827

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-fluoroethyl)hexan-1-amine?
The IUPAC name of 6-chloro-N-(2-fluoroethyl)hexan-1-amine (CID 107845571) is 6-chloro-N-(2-fluoroethyl)hexan-1-amine.
What is the SMILES notation for 6-chloro-N-(2-fluoroethyl)hexan-1-amine?
The canonical SMILES for 6-chloro-N-(2-fluoroethyl)hexan-1-amine is FCCNCCCCCCCl.
What is the InChIKey of 6-chloro-N-(2-fluoroethyl)hexan-1-amine?
The InChIKey is FVOZVOLFCQUNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClFN/c9-5-3-1-2-4-7-11-8-6-10/h11H,1-8H2.
What are the key properties of 6-chloro-N-(2-fluoroethyl)hexan-1-amine?
6-chloro-N-(2-fluoroethyl)hexan-1-amine has a molecular weight of 181.68 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-fluoroethyl)hexan-1-amine is sourced from PubChem (CID 107845571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).