N,N-diethyl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-2-amine

C9H13F6N — CID 122595760

IUPACN,N-diethyl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-2-amine
SMILESCCN(CC)C(C)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6N/c1-4-16(5-2)6(3)7(8(10,11)12)9(13,14)15/h4-5H2,1-3H3
InChIKeyMEDHTQJDNHUCRN-UHFFFAOYSA-N
MW249.20 g/mol
LogP3.73
Rot. Bonds3

About N,N-diethyl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-2-amine

N,N-diethyl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-2-amine (PubChem CID 122595760) has the molecular formula C9H13F6N and a molecular weight of 249.20 g/mol. Its IUPAC name is N,N-diethyl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-2-amine
PubChem CID122595760
Molecular FormulaC9H13F6N
Molecular Weight249.20 g/mol
Exact Mass249.10
IUPAC NameN,N-diethyl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-2-amine
SMILESCCN(CC)C(C)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6N/c1-4-16(5-2)6(3)7(8(10,11)12)9(13,14)15/h4-5H2,1-3H3
InChIKeyMEDHTQJDNHUCRN-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine
CID 19761981
1-[4,4,4-Trifluoro-3-(trifluoromethyl)but-2-en-2-yl]pyrrolidine
CID 122595759
4,4,4-trifluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-en-2-amine
CID 122595765
N,N-diethyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-amine
CID 132234556
3,3-Difluoro-1-(3-methylbut-2-en-2-yl)azetidine
CID 155036779
(Z)-4,4,4-trifluoro-N,N,3-trimethylbut-2-en-2-amine
CID 173660714
N,N-diethyl-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-en-1-amine
CID 13179200

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-2-amine?
The IUPAC name of N,N-diethyl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-2-amine (CID 122595760) is N,N-diethyl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-2-amine.
What is the SMILES notation for N,N-diethyl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-2-amine?
The canonical SMILES for N,N-diethyl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-2-amine is CCN(CC)C(C)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N,N-diethyl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-2-amine?
The InChIKey is MEDHTQJDNHUCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6N/c1-4-16(5-2)6(3)7(8(10,11)12)9(13,14)15/h4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-2-amine?
N,N-diethyl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-2-amine has a molecular weight of 249.20 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-2-amine is sourced from PubChem (CID 122595760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).