N-ethyl-N-[(ethylidene-λ3-iodanyl)methyl]-3-fluoropropan-1-amine

C8H17FIN — CID 177232538

IUPACN-ethyl-N-[(ethylidene-λ3-iodanyl)methyl]-3-fluoropropan-1-amine
SMILESC/C=I/CN(CC)CCCF
InChIInChI=1S/C8H17FIN/c1-3-10-8-11(4-2)7-5-6-9/h3H,4-8H2,1-2H3
InChIKeyIRNBQLHVGTULPI-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.42
Rot. Bonds6

About N-ethyl-N-[(ethylidene-λ3-iodanyl)methyl]-3-fluoropropan-1-amine

N-ethyl-N-[(ethylidene-λ3-iodanyl)methyl]-3-fluoropropan-1-amine (PubChem CID 177232538) has the molecular formula C8H17FIN and a molecular weight of 273.13 g/mol. Its IUPAC name is N-ethyl-N-[(ethylidene-λ3-iodanyl)methyl]-3-fluoropropan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[(ethylidene-λ3-iodanyl)methyl]-3-fluoropropan-1-amine
PubChem CID177232538
Molecular FormulaC8H17FIN
Molecular Weight273.13 g/mol
Exact Mass273.04
IUPAC NameN-ethyl-N-[(ethylidene-λ3-iodanyl)methyl]-3-fluoropropan-1-amine
SMILESC/C=I/CN(CC)CCCF
InChIInChI=1S/C8H17FIN/c1-3-10-8-11(4-2)7-5-6-9/h3H,4-8H2,1-2H3
InChIKeyIRNBQLHVGTULPI-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(ethylidene-λ3-iodanyl)methyl]-3-fluoropropan-1-amine?
The IUPAC name of N-ethyl-N-[(ethylidene-λ3-iodanyl)methyl]-3-fluoropropan-1-amine (CID 177232538) is N-ethyl-N-[(ethylidene-λ3-iodanyl)methyl]-3-fluoropropan-1-amine.
What is the SMILES notation for N-ethyl-N-[(ethylidene-λ3-iodanyl)methyl]-3-fluoropropan-1-amine?
The canonical SMILES for N-ethyl-N-[(ethylidene-λ3-iodanyl)methyl]-3-fluoropropan-1-amine is C/C=I/CN(CC)CCCF.
What is the InChIKey of N-ethyl-N-[(ethylidene-λ3-iodanyl)methyl]-3-fluoropropan-1-amine?
The InChIKey is IRNBQLHVGTULPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FIN/c1-3-10-8-11(4-2)7-5-6-9/h3H,4-8H2,1-2H3.
What are the key properties of N-ethyl-N-[(ethylidene-λ3-iodanyl)methyl]-3-fluoropropan-1-amine?
N-ethyl-N-[(ethylidene-λ3-iodanyl)methyl]-3-fluoropropan-1-amine has a molecular weight of 273.13 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(ethylidene-λ3-iodanyl)methyl]-3-fluoropropan-1-amine is sourced from PubChem (CID 177232538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).