[(1S,2S)-2-fluorocyclopropyl]methanamine;hydrochloride

C4H9ClFN — CID 155820456

IUPAC[(1S,2S)-2-fluorocyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1C[C@@H]1F
InChIInChI=1S/C4H8FN.ClH/c5-4-1-3(4)2-6;/h3-4H,1-2,6H2;1H/t3-,4-;/m0./s1
InChIKeyOCMRWDMRPODKRO-MMALYQPHSA-N
MW125.57 g/mol
LogP0.72
Rot. Bonds1

About [(1S,2S)-2-fluorocyclopropyl]methanamine;hydrochloride

[(1S,2S)-2-fluorocyclopropyl]methanamine;hydrochloride (PubChem CID 155820456) has the molecular formula C4H9ClFN and a molecular weight of 125.57 g/mol. Its IUPAC name is [(1S,2S)-2-fluorocyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-fluorocyclopropyl]methanamine;hydrochloride
PubChem CID155820456
Molecular FormulaC4H9ClFN
Molecular Weight125.57 g/mol
Exact Mass125.04
IUPAC Name[(1S,2S)-2-fluorocyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1C[C@@H]1F
InChIInChI=1S/C4H8FN.ClH/c5-4-1-3(4)2-6;/h3-4H,1-2,6H2;1H/t3-,4-;/m0./s1
InChIKeyOCMRWDMRPODKRO-MMALYQPHSA-N
XLogP0.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.57
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclopropanemethanamine
CID 75646
(Cyclopropylmethyl)ammonium chloride
CID 81671
(2,2-Difluorocyclopropyl)methanamine hydrochloride
CID 75480932
(1-Fluorocyclopropyl)methanamine hydrochloride
CID 84716063
rac-(1R,2R)-2-(difluoromethyl)cyclopropan-1-amine hydrochloride
CID 122199357
2-(Difluoromethyl)cyclopropan-1-amine hydrochloride
CID 122360158
rac-(1R,2S)-2-(difluoromethyl)cyclopropan-1-aminehydrochloride,cis
CID 134690798
Cyclopropylmethanaminium chloride
CID 11355452
2-Fluoro-3-methylbutan-1-amine hydrochloride
CID 105428310
(1S,2S)-2-(difluoromethyl)cyclopropan-1-amine hydrochloride
CID 119031364
rac-(1R,2S)-2-(difluoromethyl)cyclopropan-1-amine hydrochloride
CID 122163519
rac-(1R,2R)-2-(fluoromethyl)cyclopropan-1-amine hydrochloride
CID 136589399

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-fluorocyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-fluorocyclopropyl]methanamine;hydrochloride (CID 155820456) is [(1S,2S)-2-fluorocyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-fluorocyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-fluorocyclopropyl]methanamine;hydrochloride is Cl.NC[C@@H]1C[C@@H]1F.
What is the InChIKey of [(1S,2S)-2-fluorocyclopropyl]methanamine;hydrochloride?
The InChIKey is OCMRWDMRPODKRO-MMALYQPHSA-N. The full InChI is InChI=1S/C4H8FN.ClH/c5-4-1-3(4)2-6;/h3-4H,1-2,6H2;1H/t3-,4-;/m0./s1.
What are the key properties of [(1S,2S)-2-fluorocyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-fluorocyclopropyl]methanamine;hydrochloride has a molecular weight of 125.57 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-fluorocyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 155820456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).