trans-(1R,2R)-2-fluoro-N-methylcyclopropan-1-amine;hydrochloride

C4H9ClFN — CID 170902725

IUPACtrans-(1R,2R)-2-fluoro-N-methylcyclopropan-1-amine;hydrochloride
SMILESCN[C@@H]1C[C@H]1F.Cl
InChIInChI=1S/C4H8FN.ClH/c1-6-4-2-3(4)5;/h3-4,6H,2H2,1H3;1H/t3-,4-;/m1./s1
InChIKeyJMKSILWKAXVBDO-VKKIDBQXSA-N
MW125.57 g/mol
LogP0.74
Rot. Bonds1

About trans-(1R,2R)-2-fluoro-N-methylcyclopropan-1-amine;hydrochloride

trans-(1R,2R)-2-fluoro-N-methylcyclopropan-1-amine;hydrochloride (PubChem CID 170902725) has the molecular formula C4H9ClFN and a molecular weight of 125.57 g/mol. Its IUPAC name is trans-(1R,2R)-2-fluoro-N-methylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-fluoro-N-methylcyclopropan-1-amine;hydrochloride
PubChem CID170902725
Molecular FormulaC4H9ClFN
Molecular Weight125.57 g/mol
Exact Mass125.04
IUPAC Nametrans-(1R,2R)-2-fluoro-N-methylcyclopropan-1-amine;hydrochloride
SMILESCN[C@@H]1C[C@H]1F.Cl
InChIInChI=1S/C4H8FN.ClH/c1-6-4-2-3(4)5;/h3-4,6H,2H2,1H3;1H/t3-,4-;/m1./s1
InChIKeyJMKSILWKAXVBDO-VKKIDBQXSA-N
XLogP0.74
TPSA12.03 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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride
CID 164886232
2-fluoro-N-methyl-5-methylsulfinylcyclohexan-1-amine
CID 123163620
(1R)-N,2-dimethylcyclopropan-1-amine
CID 54266879
3-fluoro-N-methylcyclobutan-1-amine
CID 84715977
(3R)-3-fluoro-N-methylpiperidin-4-amine
CID 141385333
(3S,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 167501461
(3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine
CID 55287556
(3R,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 177078816
(1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 138991134
(2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine
CID 170074560
trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine
CID 129406607
3-N,4-N-dimethylthiolane-3,4-diamine
CID 170597247

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-fluoro-N-methylcyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2R)-2-fluoro-N-methylcyclopropan-1-amine;hydrochloride (CID 170902725) is trans-(1R,2R)-2-fluoro-N-methylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-2-fluoro-N-methylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2R)-2-fluoro-N-methylcyclopropan-1-amine;hydrochloride is CN[C@@H]1C[C@H]1F.Cl.
What is the InChIKey of trans-(1R,2R)-2-fluoro-N-methylcyclopropan-1-amine;hydrochloride?
The InChIKey is JMKSILWKAXVBDO-VKKIDBQXSA-N. The full InChI is InChI=1S/C4H8FN.ClH/c1-6-4-2-3(4)5;/h3-4,6H,2H2,1H3;1H/t3-,4-;/m1./s1.
What are the key properties of trans-(1R,2R)-2-fluoro-N-methylcyclopropan-1-amine;hydrochloride?
trans-(1R,2R)-2-fluoro-N-methylcyclopropan-1-amine;hydrochloride has a molecular weight of 125.57 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-fluoro-N-methylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 170902725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).