(1S,4R,5R)-5-(fluoromethyl)-2-azabicyclo[2.2.1]heptane;hydrochloride

C7H13ClFN — CID 167721651

IUPAC(1S,4R,5R)-5-(fluoromethyl)-2-azabicyclo[2.2.1]heptane;hydrochloride
SMILESCl.FC[C@@H]1C[C@@H]2C[C@H]1CN2
InChIInChI=1S/C7H12FN.ClH/c8-3-5-1-7-2-6(5)4-9-7;/h5-7,9H,1-4H2;1H/t5-,6-,7+;/m0./s1
InChIKeySTLHUMJDIWBPCB-LBZPYWGZSA-N
MW165.64 g/mol
LogP1.38
Rot. Bonds1

About (1S,4R,5R)-5-(fluoromethyl)-2-azabicyclo[2.2.1]heptane;hydrochloride

(1S,4R,5R)-5-(fluoromethyl)-2-azabicyclo[2.2.1]heptane;hydrochloride (PubChem CID 167721651) has the molecular formula C7H13ClFN and a molecular weight of 165.64 g/mol. Its IUPAC name is (1S,4R,5R)-5-(fluoromethyl)-2-azabicyclo[2.2.1]heptane;hydrochloride.

Molecular Properties

Compound Name(1S,4R,5R)-5-(fluoromethyl)-2-azabicyclo[2.2.1]heptane;hydrochloride
PubChem CID167721651
Molecular FormulaC7H13ClFN
Molecular Weight165.64 g/mol
Exact Mass165.07
IUPAC Name(1S,4R,5R)-5-(fluoromethyl)-2-azabicyclo[2.2.1]heptane;hydrochloride
SMILESCl.FC[C@@H]1C[C@@H]2C[C@H]1CN2
InChIInChI=1S/C7H12FN.ClH/c8-3-5-1-7-2-6(5)4-9-7;/h5-7,9H,1-4H2;1H/t5-,6-,7+;/m0./s1
InChIKeySTLHUMJDIWBPCB-LBZPYWGZSA-N
XLogP1.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.64
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Azabicyclo(2.2.1)heptane
CID 78963
2-Azabicyclo[2.2.1]heptane hydrochloride
CID 20070801
(1S,4R)-2-azabicyclo[2.2.1]heptane hydrochloride
CID 13078200
5,5-Difluoro-2-azabicyclo(2.2.1)heptane hydrochloride
CID 84717355
(1R,4S)-2-azabicyclo(2.2.1)heptane hydrochloride
CID 122163564
6,6-Difluoro-2-azabicyclo(2.2.1)heptane hydrochloride
CID 127264201
(1R,3S,4S)-3-(trifluoromethyl)-2-azabicyclo(2.2.1)heptane hydrochloride
CID 145867377
rac-(1R,4R,5R)-5-methyl-2-azabicyclo[2.2.1]heptane hydrochloride
CID 165979404
(1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptane hydrochloride
CID 177800839
3,3-Bis(trifluoromethyl)-2-azabicyclo[2.2.1]heptane
CID 129815390
r-2-Azabicyclo[2.2.1]heptane
CID 69264533
(1S,4S,5S)-5-fluoro-2-azabicyclo[2.2.1]heptane
CID 55280747

Frequently Asked Questions

What is the IUPAC name of (1S,4R,5R)-5-(fluoromethyl)-2-azabicyclo[2.2.1]heptane;hydrochloride?
The IUPAC name of (1S,4R,5R)-5-(fluoromethyl)-2-azabicyclo[2.2.1]heptane;hydrochloride (CID 167721651) is (1S,4R,5R)-5-(fluoromethyl)-2-azabicyclo[2.2.1]heptane;hydrochloride.
What is the SMILES notation for (1S,4R,5R)-5-(fluoromethyl)-2-azabicyclo[2.2.1]heptane;hydrochloride?
The canonical SMILES for (1S,4R,5R)-5-(fluoromethyl)-2-azabicyclo[2.2.1]heptane;hydrochloride is Cl.FC[C@@H]1C[C@@H]2C[C@H]1CN2.
What is the InChIKey of (1S,4R,5R)-5-(fluoromethyl)-2-azabicyclo[2.2.1]heptane;hydrochloride?
The InChIKey is STLHUMJDIWBPCB-LBZPYWGZSA-N. The full InChI is InChI=1S/C7H12FN.ClH/c8-3-5-1-7-2-6(5)4-9-7;/h5-7,9H,1-4H2;1H/t5-,6-,7+;/m0./s1.
What are the key properties of (1S,4R,5R)-5-(fluoromethyl)-2-azabicyclo[2.2.1]heptane;hydrochloride?
(1S,4R,5R)-5-(fluoromethyl)-2-azabicyclo[2.2.1]heptane;hydrochloride has a molecular weight of 165.64 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5R)-5-(fluoromethyl)-2-azabicyclo[2.2.1]heptane;hydrochloride is sourced from PubChem (CID 167721651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).