4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine

C9H9F10N — CID 160565377

IUPAC4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
SMILESCC(C)=C(N(C)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F10N/c1-4(2)5(6(10,11)7(12,13)14)20(3)9(18,19)8(15,16)17/h1-3H3
InChIKeyJOIXMVLODWUKQR-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.56
Rot. Bonds3

About 4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine

4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine (PubChem CID 160565377) has the molecular formula C9H9F10N and a molecular weight of 321.16 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
PubChem CID160565377
Molecular FormulaC9H9F10N
Molecular Weight321.16 g/mol
Exact Mass321.06
IUPAC Name4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
SMILESCC(C)=C(N(C)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F10N/c1-4(2)5(6(10,11)7(12,13)14)20(3)9(18,19)8(15,16)17/h1-3H3
InChIKeyJOIXMVLODWUKQR-UHFFFAOYSA-N
XLogP4.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine with MolForge

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Launch Full Analysis

Related Compounds

3-Pyrrolidinoperfluoro-2-methyl-2-pentene
CID 13196941
3-(1-Aziridinyl) perfluoro-2-methyl-2-pentene
CID 13426686
N,N-Dimethyl-2-(trifluoromethyl)-1,1,1,4,4,5,5,5-octafluoro-2-pentene-3-amine
CID 12751230
1,1,1,4,5,5,5-heptafluoro-N,N-dimethyl-2,4-bis(trifluoromethyl)pent-2-en-3-amine
CID 19761935
N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine
CID 19761981
N,N-diethyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-amine
CID 132234556
1-[1,1,1-Trifluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrrolidine
CID 132234557
2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine;2,4,4,5,5,5-hexafluoro-3-methylpent-2-ene;4,4,5,5,5-pentafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylpent-2-en-3-amine;4,4,5,5,5-pentafluoro-2-methyl-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
CID 160883584
(Z)-1,1,1,4,4,5,5,5-octafluoro-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)pent-2-en-3-amine
CID 163983716
(E)-1-fluoro-N-(fluoromethyl)-2,4-dimethyl-N-propan-2-ylpent-2-en-3-amine
CID 174023168
1,1-Dimethyl-5-propyl-4-(trifluoromethyl)-2,3-dihydropyrrol-1-ium
CID 102236800
(Z)-5,5,5-trifluoro-N,N,3-trimethylpent-2-en-2-amine
CID 144281622

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine?
The IUPAC name of 4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine (CID 160565377) is 4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine.
What is the SMILES notation for 4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine?
The canonical SMILES for 4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine is CC(C)=C(N(C)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine?
The InChIKey is JOIXMVLODWUKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F10N/c1-4(2)5(6(10,11)7(12,13)14)20(3)9(18,19)8(15,16)17/h1-3H3.
What are the key properties of 4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine?
4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine has a molecular weight of 321.16 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine is sourced from PubChem (CID 160565377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).