N-(2-fluoropropyl)-N-methylbut-1-en-2-amine

C8H16FN — CID 144557678

IUPACN-(2-fluoropropyl)-N-methylbut-1-en-2-amine
SMILESC=C(CC)N(C)CC(C)F
InChIInChI=1S/C8H16FN/c1-5-8(3)10(4)6-7(2)9/h7H,3,5-6H2,1-2,4H3
InChIKeyMXEOUOUYTPJDCO-UHFFFAOYSA-N
MW145.22 g/mol
LogP2.20
Rot. Bonds4

About N-(2-fluoropropyl)-N-methylbut-1-en-2-amine

N-(2-fluoropropyl)-N-methylbut-1-en-2-amine (PubChem CID 144557678) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is N-(2-fluoropropyl)-N-methylbut-1-en-2-amine.

Molecular Properties

Compound NameN-(2-fluoropropyl)-N-methylbut-1-en-2-amine
PubChem CID144557678
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC NameN-(2-fluoropropyl)-N-methylbut-1-en-2-amine
SMILESC=C(CC)N(C)CC(C)F
InChIInChI=1S/C8H16FN/c1-5-8(3)10(4)6-7(2)9/h7H,3,5-6H2,1-2,4H3
InChIKeyMXEOUOUYTPJDCO-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoropropyl)-N-methylbut-1-en-2-amine?
The IUPAC name of N-(2-fluoropropyl)-N-methylbut-1-en-2-amine (CID 144557678) is N-(2-fluoropropyl)-N-methylbut-1-en-2-amine.
What is the SMILES notation for N-(2-fluoropropyl)-N-methylbut-1-en-2-amine?
The canonical SMILES for N-(2-fluoropropyl)-N-methylbut-1-en-2-amine is C=C(CC)N(C)CC(C)F.
What is the InChIKey of N-(2-fluoropropyl)-N-methylbut-1-en-2-amine?
The InChIKey is MXEOUOUYTPJDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-5-8(3)10(4)6-7(2)9/h7H,3,5-6H2,1-2,4H3.
What are the key properties of N-(2-fluoropropyl)-N-methylbut-1-en-2-amine?
N-(2-fluoropropyl)-N-methylbut-1-en-2-amine has a molecular weight of 145.22 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoropropyl)-N-methylbut-1-en-2-amine is sourced from PubChem (CID 144557678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).