2-fluoro-N,N-di(propan-2-yl)prop-1-en-1-amine

C9H18FN — CID 141487196

IUPAC2-fluoro-N,N-di(propan-2-yl)prop-1-en-1-amine
SMILESCC(F)=CN(C(C)C)C(C)C
InChIInChI=1S/C9H18FN/c1-7(2)11(8(3)4)6-9(5)10/h6-8H,1-5H3
InChIKeyPGPHJUMNCKKXDQ-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.94
Rot. Bonds3

About 2-fluoro-N,N-di(propan-2-yl)prop-1-en-1-amine

2-fluoro-N,N-di(propan-2-yl)prop-1-en-1-amine (PubChem CID 141487196) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-fluoro-N,N-di(propan-2-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name2-fluoro-N,N-di(propan-2-yl)prop-1-en-1-amine
PubChem CID141487196
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name2-fluoro-N,N-di(propan-2-yl)prop-1-en-1-amine
SMILESCC(F)=CN(C(C)C)C(C)C
InChIInChI=1S/C9H18FN/c1-7(2)11(8(3)4)6-9(5)10/h6-8H,1-5H3
InChIKeyPGPHJUMNCKKXDQ-UHFFFAOYSA-N
XLogP2.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-di(propan-2-yl)prop-1-en-1-amine?
The IUPAC name of 2-fluoro-N,N-di(propan-2-yl)prop-1-en-1-amine (CID 141487196) is 2-fluoro-N,N-di(propan-2-yl)prop-1-en-1-amine.
What is the SMILES notation for 2-fluoro-N,N-di(propan-2-yl)prop-1-en-1-amine?
The canonical SMILES for 2-fluoro-N,N-di(propan-2-yl)prop-1-en-1-amine is CC(F)=CN(C(C)C)C(C)C.
What is the InChIKey of 2-fluoro-N,N-di(propan-2-yl)prop-1-en-1-amine?
The InChIKey is PGPHJUMNCKKXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(2)11(8(3)4)6-9(5)10/h6-8H,1-5H3.
What are the key properties of 2-fluoro-N,N-di(propan-2-yl)prop-1-en-1-amine?
2-fluoro-N,N-di(propan-2-yl)prop-1-en-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-di(propan-2-yl)prop-1-en-1-amine is sourced from PubChem (CID 141487196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).