(2R)-N-(2-fluoroethyl)heptan-2-amine

C9H20FN — CID 124512751

IUPAC(2R)-N-(2-fluoroethyl)heptan-2-amine
SMILESCCCCC[C@@H](C)NCCF
InChIInChI=1S/C9H20FN/c1-3-4-5-6-9(2)11-8-7-10/h9,11H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyXZWGLTKGGQBDNV-SECBINFHSA-N
MW161.26 g/mol
LogP2.51
Rot. Bonds7

About (2R)-N-(2-fluoroethyl)heptan-2-amine

(2R)-N-(2-fluoroethyl)heptan-2-amine (PubChem CID 124512751) has the molecular formula C9H20FN and a molecular weight of 161.26 g/mol. Its IUPAC name is (2R)-N-(2-fluoroethyl)heptan-2-amine.

Molecular Properties

Compound Name(2R)-N-(2-fluoroethyl)heptan-2-amine
PubChem CID124512751
Molecular FormulaC9H20FN
Molecular Weight161.26 g/mol
Exact Mass161.16
IUPAC Name(2R)-N-(2-fluoroethyl)heptan-2-amine
SMILESCCCCC[C@@H](C)NCCF
InChIInChI=1S/C9H20FN/c1-3-4-5-6-9(2)11-8-7-10/h9,11H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyXZWGLTKGGQBDNV-SECBINFHSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-propylnonan-2-amine
CID 43129664
N-heptan-2-yldodecan-1-amine
CID 63491878
N-butylundecan-2-amine
CID 90035852
N-octan-2-ylundecan-1-amine
CID 150124606
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971
N'-dodecan-2-ylpentane-1,5-diamine
CID 175187271
(2R)-4-[[(2R)-heptan-2-yl]amino]butan-2-ol
CID 97030460
(2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol
CID 97030461
(2S)-4-[[(2R)-octan-2-yl]amino]butan-2-ol
CID 96784182
N-ethyl-N'-heptan-2-ylpropane-1,3-diamine
CID 62835218

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluoroethyl)heptan-2-amine?
The IUPAC name of (2R)-N-(2-fluoroethyl)heptan-2-amine (CID 124512751) is (2R)-N-(2-fluoroethyl)heptan-2-amine.
What is the SMILES notation for (2R)-N-(2-fluoroethyl)heptan-2-amine?
The canonical SMILES for (2R)-N-(2-fluoroethyl)heptan-2-amine is CCCCC[C@@H](C)NCCF.
What is the InChIKey of (2R)-N-(2-fluoroethyl)heptan-2-amine?
The InChIKey is XZWGLTKGGQBDNV-SECBINFHSA-N. The full InChI is InChI=1S/C9H20FN/c1-3-4-5-6-9(2)11-8-7-10/h9,11H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-N-(2-fluoroethyl)heptan-2-amine?
(2R)-N-(2-fluoroethyl)heptan-2-amine has a molecular weight of 161.26 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluoroethyl)heptan-2-amine is sourced from PubChem (CID 124512751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).