N-(2-fluoroethyl)-1-(furan-2-yl)propan-2-amine

C9H14FNO — CID 80695826

IUPACN-(2-fluoroethyl)-1-(furan-2-yl)propan-2-amine
SMILESCC(Cc1ccco1)NCCF
InChIInChI=1S/C9H14FNO/c1-8(11-5-4-10)7-9-3-2-6-12-9/h2-3,6,8,11H,4-5,7H2,1H3
InChIKeyHUVULHPRWDEWDU-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.77
Rot. Bonds5

About N-(2-fluoroethyl)-1-(furan-2-yl)propan-2-amine

N-(2-fluoroethyl)-1-(furan-2-yl)propan-2-amine (PubChem CID 80695826) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-(furan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-(furan-2-yl)propan-2-amine
PubChem CID80695826
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC NameN-(2-fluoroethyl)-1-(furan-2-yl)propan-2-amine
SMILESCC(Cc1ccco1)NCCF
InChIInChI=1S/C9H14FNO/c1-8(11-5-4-10)7-9-3-2-6-12-9/h2-3,6,8,11H,4-5,7H2,1H3
InChIKeyHUVULHPRWDEWDU-UHFFFAOYSA-N
XLogP1.77
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-(furan-2-yl)propan-2-amine?
The IUPAC name of N-(2-fluoroethyl)-1-(furan-2-yl)propan-2-amine (CID 80695826) is N-(2-fluoroethyl)-1-(furan-2-yl)propan-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-1-(furan-2-yl)propan-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-1-(furan-2-yl)propan-2-amine is CC(Cc1ccco1)NCCF.
What is the InChIKey of N-(2-fluoroethyl)-1-(furan-2-yl)propan-2-amine?
The InChIKey is HUVULHPRWDEWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-8(11-5-4-10)7-9-3-2-6-12-9/h2-3,6,8,11H,4-5,7H2,1H3.
What are the key properties of N-(2-fluoroethyl)-1-(furan-2-yl)propan-2-amine?
N-(2-fluoroethyl)-1-(furan-2-yl)propan-2-amine has a molecular weight of 171.22 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-(furan-2-yl)propan-2-amine is sourced from PubChem (CID 80695826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).