cis-(1R,2S)-2-fluorocyclopropan-1-amine;toluene

C10H14FN — CID 118496568

IUPACcis-(1R,2S)-2-fluorocyclopropan-1-amine;toluene
SMILESCc1ccccc1.N[C@@H]1C[C@@H]1F
InChIInChI=1S/C7H8.C3H6FN/c1-7-5-3-2-4-6-7;4-2-1-3(2)5/h2-6H,1H3;2-3H,1,5H2/t;2-,3+/m.0/s1
InChIKeySXURWOVXPRHUPQ-LMLSDSMGSA-N
MW167.23 g/mol
LogP2.05
Rot. Bonds

About cis-(1R,2S)-2-fluorocyclopropan-1-amine;toluene

cis-(1R,2S)-2-fluorocyclopropan-1-amine;toluene (PubChem CID 118496568) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is cis-(1R,2S)-2-fluorocyclopropan-1-amine;toluene.

Molecular Properties

Compound Namecis-(1R,2S)-2-fluorocyclopropan-1-amine;toluene
PubChem CID118496568
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Namecis-(1R,2S)-2-fluorocyclopropan-1-amine;toluene
SMILESCc1ccccc1.N[C@@H]1C[C@@H]1F
InChIInChI=1S/C7H8.C3H6FN/c1-7-5-3-2-4-6-7;4-2-1-3(2)5/h2-6H,1H3;2-3H,1,5H2/t;2-,3+/m.0/s1
InChIKeySXURWOVXPRHUPQ-LMLSDSMGSA-N
XLogP2.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-fluorocyclopropan-1-amine;toluene?
The IUPAC name of cis-(1R,2S)-2-fluorocyclopropan-1-amine;toluene (CID 118496568) is cis-(1R,2S)-2-fluorocyclopropan-1-amine;toluene.
What is the SMILES notation for cis-(1R,2S)-2-fluorocyclopropan-1-amine;toluene?
The canonical SMILES for cis-(1R,2S)-2-fluorocyclopropan-1-amine;toluene is Cc1ccccc1.N[C@@H]1C[C@@H]1F.
What is the InChIKey of cis-(1R,2S)-2-fluorocyclopropan-1-amine;toluene?
The InChIKey is SXURWOVXPRHUPQ-LMLSDSMGSA-N. The full InChI is InChI=1S/C7H8.C3H6FN/c1-7-5-3-2-4-6-7;4-2-1-3(2)5/h2-6H,1H3;2-3H,1,5H2/t;2-,3+/m.0/s1.
What are the key properties of cis-(1R,2S)-2-fluorocyclopropan-1-amine;toluene?
cis-(1R,2S)-2-fluorocyclopropan-1-amine;toluene has a molecular weight of 167.23 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-fluorocyclopropan-1-amine;toluene is sourced from PubChem (CID 118496568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).