1-fluoro-N-prop-1-en-2-yl-N-propylpentan-2-amine

C11H22FN — CID 155699877

IUPAC1-fluoro-N-prop-1-en-2-yl-N-propylpentan-2-amine
SMILESC=C(C)N(CCC)C(CF)CCC
InChIInChI=1S/C11H22FN/c1-5-7-11(9-12)13(8-6-2)10(3)4/h11H,3,5-9H2,1-2,4H3
InChIKeyXELGCZVHPIVUST-UHFFFAOYSA-N
MW187.30 g/mol
LogP3.37
Rot. Bonds7

About 1-fluoro-N-prop-1-en-2-yl-N-propylpentan-2-amine

1-fluoro-N-prop-1-en-2-yl-N-propylpentan-2-amine (PubChem CID 155699877) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 1-fluoro-N-prop-1-en-2-yl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-fluoro-N-prop-1-en-2-yl-N-propylpentan-2-amine
PubChem CID155699877
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name1-fluoro-N-prop-1-en-2-yl-N-propylpentan-2-amine
SMILESC=C(C)N(CCC)C(CF)CCC
InChIInChI=1S/C11H22FN/c1-5-7-11(9-12)13(8-6-2)10(3)4/h11H,3,5-9H2,1-2,4H3
InChIKeyXELGCZVHPIVUST-UHFFFAOYSA-N
XLogP3.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N-prop-1-en-2-ylpropan-2-amine
CID 12556468
(E)-2-N-(4-fluorobutyl)-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine
CID 126605050
4-Fluoro-2-methyl-1-prop-1-en-2-ylpyrrolidine
CID 143430697
N-(2-fluoropropyl)-N-methylbut-1-en-2-amine
CID 144557678
3,3-difluoro-N-propan-2-yl-N-prop-1-en-2-ylcyclobutan-1-amine
CID 176924039
3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine;ethane
CID 177326353
3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine
CID 177326354
N-prop-1-en-2-yl-N-propylpropan-1-amine
CID 19350351
N-prop-1-en-2-yl-N-propylbutan-1-amine
CID 88829514
Prop-1-en-2-yl(tripropyl)azanium
CID 89876401
N-methyl-N-prop-1-en-2-ylbutan-1-amine
CID 90395288
Dimethyl-prop-1-en-2-yl-propylazanium
CID 118052105

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-prop-1-en-2-yl-N-propylpentan-2-amine?
The IUPAC name of 1-fluoro-N-prop-1-en-2-yl-N-propylpentan-2-amine (CID 155699877) is 1-fluoro-N-prop-1-en-2-yl-N-propylpentan-2-amine.
What is the SMILES notation for 1-fluoro-N-prop-1-en-2-yl-N-propylpentan-2-amine?
The canonical SMILES for 1-fluoro-N-prop-1-en-2-yl-N-propylpentan-2-amine is C=C(C)N(CCC)C(CF)CCC.
What is the InChIKey of 1-fluoro-N-prop-1-en-2-yl-N-propylpentan-2-amine?
The InChIKey is XELGCZVHPIVUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-5-7-11(9-12)13(8-6-2)10(3)4/h11H,3,5-9H2,1-2,4H3.
What are the key properties of 1-fluoro-N-prop-1-en-2-yl-N-propylpentan-2-amine?
1-fluoro-N-prop-1-en-2-yl-N-propylpentan-2-amine has a molecular weight of 187.30 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-prop-1-en-2-yl-N-propylpentan-2-amine is sourced from PubChem (CID 155699877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).