N-fluorobicyclo[2.2.1]heptan-2-amine

C7H12FN — CID 123516667

IUPACN-fluorobicyclo[2.2.1]heptan-2-amine
SMILESFNC1CC2CCC1C2
InChIInChI=1S/C7H12FN/c8-9-7-4-5-1-2-6(7)3-5/h5-7,9H,1-4H2
InChIKeyXCKSXOFTNGLSMV-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.65
Rot. Bonds1

About N-fluorobicyclo[2.2.1]heptan-2-amine

N-fluorobicyclo[2.2.1]heptan-2-amine (PubChem CID 123516667) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is N-fluorobicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-fluorobicyclo[2.2.1]heptan-2-amine
PubChem CID123516667
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC NameN-fluorobicyclo[2.2.1]heptan-2-amine
SMILESFNC1CC2CCC1C2
InChIInChI=1S/C7H12FN/c8-9-7-4-5-1-2-6(7)3-5/h5-7,9H,1-4H2
InChIKeyXCKSXOFTNGLSMV-UHFFFAOYSA-N
XLogP1.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 138991134
[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyanamide
CID 55287804
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
N-(2,2-difluoropropyl)bicyclo[2.2.1]heptan-2-amine
CID 130712762
N-(2-bicyclo[2.2.1]heptanyl)-2,6-dimethylpiperidin-1-amine
CID 83010142
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea
CID 98511353
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamothioylamino]thiourea
CID 98387776
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]carbamothioylamino]thiourea
CID 98083134
(1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine
CID 124526685
1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]carbamothioylamino]thiourea
CID 98083131
N-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine
CID 115892511
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766

Frequently Asked Questions

What is the IUPAC name of N-fluorobicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-fluorobicyclo[2.2.1]heptan-2-amine (CID 123516667) is N-fluorobicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-fluorobicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-fluorobicyclo[2.2.1]heptan-2-amine is FNC1CC2CCC1C2.
What is the InChIKey of N-fluorobicyclo[2.2.1]heptan-2-amine?
The InChIKey is XCKSXOFTNGLSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c8-9-7-4-5-1-2-6(7)3-5/h5-7,9H,1-4H2.
What are the key properties of N-fluorobicyclo[2.2.1]heptan-2-amine?
N-fluorobicyclo[2.2.1]heptan-2-amine has a molecular weight of 129.18 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluorobicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 123516667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).