2-fluoro-1-oxido-N-pentylazetidin-3-amine

C8H16FN2O- — CID 88708123

IUPAC2-fluoro-1-oxido-N-pentylazetidin-3-amine
SMILESCCCCCNC1CN([O-])C1F
InChIInChI=1S/C8H16FN2O/c1-2-3-4-5-10-7-6-11(12)8(7)9/h7-8,10H,2-6H2,1H3/q-1
InChIKeyXYABUUVXVLUHEA-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.24
Rot. Bonds5

About 2-fluoro-1-oxido-N-pentylazetidin-3-amine

2-fluoro-1-oxido-N-pentylazetidin-3-amine (PubChem CID 88708123) has the molecular formula C8H16FN2O- and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-fluoro-1-oxido-N-pentylazetidin-3-amine.

Molecular Properties

Compound Name2-fluoro-1-oxido-N-pentylazetidin-3-amine
PubChem CID88708123
Molecular FormulaC8H16FN2O-
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Name2-fluoro-1-oxido-N-pentylazetidin-3-amine
SMILESCCCCCNC1CN([O-])C1F
InChIInChI=1S/C8H16FN2O/c1-2-3-4-5-10-7-6-11(12)8(7)9/h7-8,10H,2-6H2,1H3/q-1
InChIKeyXYABUUVXVLUHEA-UHFFFAOYSA-N
XLogP1.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

trans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine
CID 126847778
4-fluoro-N-hexylpyrrolidin-3-amine
CID 54189504
N-octyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105364790
(2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine
CID 93258445
(2S,3R)-2-methyl-N-pentyloxolan-3-amine
CID 97358110
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
N-dodecyl-2,4-dimethylcyclohexan-1-amine
CID 63995317
2-(nonylamino)cyclohexan-1-ol
CID 62360571
2-chloro-N-nonylcyclohexan-1-amine
CID 65025435
2-(pentylamino)cyclopropane-1-carboxylic acid
CID 117027619
2-ethyl-N-heptylcyclohexan-1-amine
CID 43709374
trans-(1R,2R)-2-N-dodecylcyclohexane-1,2-diamine
CID 158355577

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-oxido-N-pentylazetidin-3-amine?
The IUPAC name of 2-fluoro-1-oxido-N-pentylazetidin-3-amine (CID 88708123) is 2-fluoro-1-oxido-N-pentylazetidin-3-amine.
What is the SMILES notation for 2-fluoro-1-oxido-N-pentylazetidin-3-amine?
The canonical SMILES for 2-fluoro-1-oxido-N-pentylazetidin-3-amine is CCCCCNC1CN([O-])C1F.
What is the InChIKey of 2-fluoro-1-oxido-N-pentylazetidin-3-amine?
The InChIKey is XYABUUVXVLUHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN2O/c1-2-3-4-5-10-7-6-11(12)8(7)9/h7-8,10H,2-6H2,1H3/q-1.
What are the key properties of 2-fluoro-1-oxido-N-pentylazetidin-3-amine?
2-fluoro-1-oxido-N-pentylazetidin-3-amine has a molecular weight of 175.23 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-oxido-N-pentylazetidin-3-amine is sourced from PubChem (CID 88708123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).