2-(2-fluoroethylamino)-4-methylpentan-1-ol

C8H18FNO — CID 80694517

IUPAC2-(2-fluoroethylamino)-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCCF
InChIInChI=1S/C8H18FNO/c1-7(2)5-8(6-11)10-4-3-9/h7-8,10-11H,3-6H2,1-2H3
InChIKeyPSSMGGOTGGOZOO-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.95
Rot. Bonds6

About 2-(2-fluoroethylamino)-4-methylpentan-1-ol

2-(2-fluoroethylamino)-4-methylpentan-1-ol (PubChem CID 80694517) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-(2-fluoroethylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-(2-fluoroethylamino)-4-methylpentan-1-ol
PubChem CID80694517
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC Name2-(2-fluoroethylamino)-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCCF
InChIInChI=1S/C8H18FNO/c1-7(2)5-8(6-11)10-4-3-9/h7-8,10-11H,3-6H2,1-2H3
InChIKeyPSSMGGOTGGOZOO-UHFFFAOYSA-N
XLogP0.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylamino)-4-methylpentan-1-ol?
The IUPAC name of 2-(2-fluoroethylamino)-4-methylpentan-1-ol (CID 80694517) is 2-(2-fluoroethylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 2-(2-fluoroethylamino)-4-methylpentan-1-ol?
The canonical SMILES for 2-(2-fluoroethylamino)-4-methylpentan-1-ol is CC(C)CC(CO)NCCF.
What is the InChIKey of 2-(2-fluoroethylamino)-4-methylpentan-1-ol?
The InChIKey is PSSMGGOTGGOZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO/c1-7(2)5-8(6-11)10-4-3-9/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of 2-(2-fluoroethylamino)-4-methylpentan-1-ol?
2-(2-fluoroethylamino)-4-methylpentan-1-ol has a molecular weight of 163.24 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 80694517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).