cis-(1R,2S)-N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine

C8H16FNO — CID 171586438

IUPACcis-(1R,2S)-N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine
SMILESCC(C)O[C@H]1C[C@H]1NCCF
InChIInChI=1S/C8H16FNO/c1-6(2)11-8-5-7(8)10-4-3-9/h6-8,10H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyVYXFCYSBFQJSDY-SFYZADRCSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds5

About cis-(1R,2S)-N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine

cis-(1R,2S)-N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine (PubChem CID 171586438) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is cis-(1R,2S)-N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine
PubChem CID171586438
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Namecis-(1R,2S)-N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine
SMILESCC(C)O[C@H]1C[C@H]1NCCF
InChIInChI=1S/C8H16FNO/c1-6(2)11-8-5-7(8)10-4-3-9/h6-8,10H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyVYXFCYSBFQJSDY-SFYZADRCSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2S)-N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine?
The IUPAC name of cis-(1R,2S)-N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine (CID 171586438) is cis-(1R,2S)-N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine?
The canonical SMILES for cis-(1R,2S)-N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine is CC(C)O[C@H]1C[C@H]1NCCF.
What is the InChIKey of cis-(1R,2S)-N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine?
The InChIKey is VYXFCYSBFQJSDY-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6(2)11-8-5-7(8)10-4-3-9/h6-8,10H,3-5H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of cis-(1R,2S)-N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine?
cis-(1R,2S)-N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine has a molecular weight of 161.22 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine is sourced from PubChem (CID 171586438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).