5-ethyl-4-fluoro-4-(methoxymethyl)heptan-1-amine

C11H24FNO — CID 103392649

IUPAC5-ethyl-4-fluoro-4-(methoxymethyl)heptan-1-amine
SMILESCCC(CC)C(F)(CCCN)COC
InChIInChI=1S/C11H24FNO/c1-4-10(5-2)11(12,9-14-3)7-6-8-13/h10H,4-9,13H2,1-3H3
InChIKeyQPNSBLXKOBQXDH-UHFFFAOYSA-N
MW205.32 g/mol
LogP2.52
Rot. Bonds8

About 5-ethyl-4-fluoro-4-(methoxymethyl)heptan-1-amine

5-ethyl-4-fluoro-4-(methoxymethyl)heptan-1-amine (PubChem CID 103392649) has the molecular formula C11H24FNO and a molecular weight of 205.32 g/mol. Its IUPAC name is 5-ethyl-4-fluoro-4-(methoxymethyl)heptan-1-amine.

Molecular Properties

Compound Name5-ethyl-4-fluoro-4-(methoxymethyl)heptan-1-amine
PubChem CID103392649
Molecular FormulaC11H24FNO
Molecular Weight205.32 g/mol
Exact Mass205.18
IUPAC Name5-ethyl-4-fluoro-4-(methoxymethyl)heptan-1-amine
SMILESCCC(CC)C(F)(CCCN)COC
InChIInChI=1S/C11H24FNO/c1-4-10(5-2)11(12,9-14-3)7-6-8-13/h10H,4-9,13H2,1-3H3
InChIKeyQPNSBLXKOBQXDH-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-Dimethyloxan-4-yl)-2-fluoroethanamine
CID 124157739
2-Propyl-1-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 146397104
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 62505704
2-Propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505737
2-Propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505889
2-Ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505913
2,3-Dimethyl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 81010438
5,5,5-Trifluoro-3-(2-methoxyethyl)pentan-1-amine
CID 82534577
4-Fluoro-4-(methoxymethyl)-6-methylnonan-1-amine
CID 103392364
4-Fluoro-4-(methoxymethyl)-6-methyloctan-1-amine
CID 103392386
4-Fluoro-4-(methoxymethyl)-7-methyloctan-1-amine
CID 103392394
4-Fluoro-4-(methoxymethyl)hexan-1-amine
CID 103392395

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-fluoro-4-(methoxymethyl)heptan-1-amine?
The IUPAC name of 5-ethyl-4-fluoro-4-(methoxymethyl)heptan-1-amine (CID 103392649) is 5-ethyl-4-fluoro-4-(methoxymethyl)heptan-1-amine.
What is the SMILES notation for 5-ethyl-4-fluoro-4-(methoxymethyl)heptan-1-amine?
The canonical SMILES for 5-ethyl-4-fluoro-4-(methoxymethyl)heptan-1-amine is CCC(CC)C(F)(CCCN)COC.
What is the InChIKey of 5-ethyl-4-fluoro-4-(methoxymethyl)heptan-1-amine?
The InChIKey is QPNSBLXKOBQXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FNO/c1-4-10(5-2)11(12,9-14-3)7-6-8-13/h10H,4-9,13H2,1-3H3.
What are the key properties of 5-ethyl-4-fluoro-4-(methoxymethyl)heptan-1-amine?
5-ethyl-4-fluoro-4-(methoxymethyl)heptan-1-amine has a molecular weight of 205.32 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-fluoro-4-(methoxymethyl)heptan-1-amine is sourced from PubChem (CID 103392649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).