N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine

C8H16FNO — CID 171586452

IUPACN-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine
SMILESCC(C)OC1CC1NCCF
InChIInChI=1S/C8H16FNO/c1-6(2)11-8-5-7(8)10-4-3-9/h6-8,10H,3-5H2,1-2H3
InChIKeyVYXFCYSBFQJSDY-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds5

About N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine

N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine (PubChem CID 171586452) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine
PubChem CID171586452
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC NameN-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine
SMILESCC(C)OC1CC1NCCF
InChIInChI=1S/C8H16FNO/c1-6(2)11-8-5-7(8)10-4-3-9/h6-8,10H,3-5H2,1-2H3
InChIKeyVYXFCYSBFQJSDY-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine?
The IUPAC name of N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine (CID 171586452) is N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine is CC(C)OC1CC1NCCF.
What is the InChIKey of N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine?
The InChIKey is VYXFCYSBFQJSDY-UHFFFAOYSA-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.
What are the key properties of N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine?
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 N-(2-fluoroethyl)-2-propan-2-yloxycyclopropan-1-amine is sourced from PubChem (CID 171586452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).