N-fluorooctan-2-amine

C8H18FN — CID 88597566

IUPACN-fluorooctan-2-amine
SMILESCCCCCCC(C)NF
InChIInChI=1S/C8H18FN/c1-3-4-5-6-7-8(2)10-9/h8,10H,3-7H2,1-2H3
InChIKeyBWNDEBNPSYVSNQ-UHFFFAOYSA-N
MW147.24 g/mol
LogP2.82
Rot. Bonds6

About N-fluorooctan-2-amine

N-fluorooctan-2-amine (PubChem CID 88597566) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is N-fluorooctan-2-amine.

Molecular Properties

Compound NameN-fluorooctan-2-amine
PubChem CID88597566
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC NameN-fluorooctan-2-amine
SMILESCCCCCCC(C)NF
InChIInChI=1S/C8H18FN/c1-3-4-5-6-7-8(2)10-9/h8,10H,3-7H2,1-2H3
InChIKeyBWNDEBNPSYVSNQ-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tetradecan-2-yltetradecan-2-amine
CID 20841578
N-methyltetradecan-2-amine
CID 54073704
N-bromodecan-2-amine
CID 150287649
N-hexadecan-2-ylhydroxylamine
CID 54390562
N-heptan-2-ylheptan-1-amine
CID 43572726
N-propylnonan-2-amine
CID 43129664
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylnonan-1-amine
CID 63491715
N-butylundecan-2-amine
CID 90035852
N-octan-2-ylundecan-1-amine
CID 150124606
1-heptan-2-yl-2-methylhydrazine
CID 123380974
N-(2,2,2-trifluoroethyl)nonan-2-amine
CID 43129666

Frequently Asked Questions

What is the IUPAC name of N-fluorooctan-2-amine?
The IUPAC name of N-fluorooctan-2-amine (CID 88597566) is N-fluorooctan-2-amine.
What is the SMILES notation for N-fluorooctan-2-amine?
The canonical SMILES for N-fluorooctan-2-amine is CCCCCCC(C)NF.
What is the InChIKey of N-fluorooctan-2-amine?
The InChIKey is BWNDEBNPSYVSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c1-3-4-5-6-7-8(2)10-9/h8,10H,3-7H2,1-2H3.
What are the key properties of N-fluorooctan-2-amine?
N-fluorooctan-2-amine has a molecular weight of 147.24 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluorooctan-2-amine is sourced from PubChem (CID 88597566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).