1,1,1,4,5,5,5-heptafluoro-N,N-dimethyl-2,4-bis(trifluoromethyl)pent-2-en-3-amine

C9H6F13N — CID 19761935

IUPAC1,1,1,4,5,5,5-heptafluoro-N,N-dimethyl-2,4-bis(trifluoromethyl)pent-2-en-3-amine
SMILESCN(C)C(=C(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6F13N/c1-23(2)4(3(6(11,12)13)7(14,15)16)5(10,8(17,18)19)9(20,21)22/h1-2H3
InChIKeySPLCQARFGUIHRT-UHFFFAOYSA-N
MW375.13 g/mol
LogP4.76
Rot. Bonds2

About 1,1,1,4,5,5,5-heptafluoro-N,N-dimethyl-2,4-bis(trifluoromethyl)pent-2-en-3-amine

1,1,1,4,5,5,5-heptafluoro-N,N-dimethyl-2,4-bis(trifluoromethyl)pent-2-en-3-amine (PubChem CID 19761935) has the molecular formula C9H6F13N and a molecular weight of 375.13 g/mol. Its IUPAC name is 1,1,1,4,5,5,5-heptafluoro-N,N-dimethyl-2,4-bis(trifluoromethyl)pent-2-en-3-amine.

Molecular Properties

Compound Name1,1,1,4,5,5,5-heptafluoro-N,N-dimethyl-2,4-bis(trifluoromethyl)pent-2-en-3-amine
PubChem CID19761935
Molecular FormulaC9H6F13N
Molecular Weight375.13 g/mol
Exact Mass375.03
IUPAC Name1,1,1,4,5,5,5-heptafluoro-N,N-dimethyl-2,4-bis(trifluoromethyl)pent-2-en-3-amine
SMILESCN(C)C(=C(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6F13N/c1-23(2)4(3(6(11,12)13)7(14,15)16)5(10,8(17,18)19)9(20,21)22/h1-2H3
InChIKeySPLCQARFGUIHRT-UHFFFAOYSA-N
XLogP4.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.13
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,5,5,5-heptafluoro-N,N-dimethyl-2,4-bis(trifluoromethyl)pent-2-en-3-amine?
The IUPAC name of 1,1,1,4,5,5,5-heptafluoro-N,N-dimethyl-2,4-bis(trifluoromethyl)pent-2-en-3-amine (CID 19761935) is 1,1,1,4,5,5,5-heptafluoro-N,N-dimethyl-2,4-bis(trifluoromethyl)pent-2-en-3-amine.
What is the SMILES notation for 1,1,1,4,5,5,5-heptafluoro-N,N-dimethyl-2,4-bis(trifluoromethyl)pent-2-en-3-amine?
The canonical SMILES for 1,1,1,4,5,5,5-heptafluoro-N,N-dimethyl-2,4-bis(trifluoromethyl)pent-2-en-3-amine is CN(C)C(=C(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,5,5,5-heptafluoro-N,N-dimethyl-2,4-bis(trifluoromethyl)pent-2-en-3-amine?
The InChIKey is SPLCQARFGUIHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F13N/c1-23(2)4(3(6(11,12)13)7(14,15)16)5(10,8(17,18)19)9(20,21)22/h1-2H3.
What are the key properties of 1,1,1,4,5,5,5-heptafluoro-N,N-dimethyl-2,4-bis(trifluoromethyl)pent-2-en-3-amine?
1,1,1,4,5,5,5-heptafluoro-N,N-dimethyl-2,4-bis(trifluoromethyl)pent-2-en-3-amine has a molecular weight of 375.13 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,5,5,5-heptafluoro-N,N-dimethyl-2,4-bis(trifluoromethyl)pent-2-en-3-amine is sourced from PubChem (CID 19761935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).