3-ethyl-N-(fluoromethyl)heptan-1-amine

C10H22FN — CID 23123498

IUPAC3-ethyl-N-(fluoromethyl)heptan-1-amine
SMILESCCCCC(CC)CCNCF
InChIInChI=1S/C10H22FN/c1-3-5-6-10(4-2)7-8-12-9-11/h10,12H,3-9H2,1-2H3
InChIKeyTVRSSRFFFGKOBZ-UHFFFAOYSA-N
MW175.29 g/mol
LogP3.11
Rot. Bonds8

About 3-ethyl-N-(fluoromethyl)heptan-1-amine

3-ethyl-N-(fluoromethyl)heptan-1-amine (PubChem CID 23123498) has the molecular formula C10H22FN and a molecular weight of 175.29 g/mol. Its IUPAC name is 3-ethyl-N-(fluoromethyl)heptan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-(fluoromethyl)heptan-1-amine
PubChem CID23123498
Molecular FormulaC10H22FN
Molecular Weight175.29 g/mol
Exact Mass175.17
IUPAC Name3-ethyl-N-(fluoromethyl)heptan-1-amine
SMILESCCCCC(CC)CCNCF
InChIInChI=1S/C10H22FN/c1-3-5-6-10(4-2)7-8-12-9-11/h10,12H,3-9H2,1-2H3
InChIKeyTVRSSRFFFGKOBZ-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(fluoromethyl)heptan-1-amine?
The IUPAC name of 3-ethyl-N-(fluoromethyl)heptan-1-amine (CID 23123498) is 3-ethyl-N-(fluoromethyl)heptan-1-amine.
What is the SMILES notation for 3-ethyl-N-(fluoromethyl)heptan-1-amine?
The canonical SMILES for 3-ethyl-N-(fluoromethyl)heptan-1-amine is CCCCC(CC)CCNCF.
What is the InChIKey of 3-ethyl-N-(fluoromethyl)heptan-1-amine?
The InChIKey is TVRSSRFFFGKOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FN/c1-3-5-6-10(4-2)7-8-12-9-11/h10,12H,3-9H2,1-2H3.
What are the key properties of 3-ethyl-N-(fluoromethyl)heptan-1-amine?
3-ethyl-N-(fluoromethyl)heptan-1-amine has a molecular weight of 175.29 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(fluoromethyl)heptan-1-amine is sourced from PubChem (CID 23123498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).