N,N-diethyl-1,2,3,3-tetrafluoroprop-2-en-1-amine

C7H11F4N — CID 174465974

IUPACN,N-diethyl-1,2,3,3-tetrafluoroprop-2-en-1-amine
SMILESCCN(CC)C(F)C(F)=C(F)F
InChIInChI=1S/C7H11F4N/c1-3-12(4-2)7(11)5(8)6(9)10/h7H,3-4H2,1-2H3
InChIKeyLDDZQRDJNGTIDL-UHFFFAOYSA-N
MW185.16 g/mol
LogP2.70
Rot. Bonds4

About N,N-diethyl-1,2,3,3-tetrafluoroprop-2-en-1-amine

N,N-diethyl-1,2,3,3-tetrafluoroprop-2-en-1-amine (PubChem CID 174465974) has the molecular formula C7H11F4N and a molecular weight of 185.16 g/mol. Its IUPAC name is N,N-diethyl-1,2,3,3-tetrafluoroprop-2-en-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1,2,3,3-tetrafluoroprop-2-en-1-amine
PubChem CID174465974
Molecular FormulaC7H11F4N
Molecular Weight185.16 g/mol
Exact Mass185.08
IUPAC NameN,N-diethyl-1,2,3,3-tetrafluoroprop-2-en-1-amine
SMILESCCN(CC)C(F)C(F)=C(F)F
InChIInChI=1S/C7H11F4N/c1-3-12(4-2)7(11)5(8)6(9)10/h7H,3-4H2,1-2H3
InChIKeyLDDZQRDJNGTIDL-UHFFFAOYSA-N
XLogP2.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamine
CID 136149
1,2,3,3,3-Pentafluoro-1-propenyldiethylamine
CID 5909846
N,N-diethylpentafluoropropenylamine
CID 3741049
(Z)-N,N-diethyl-1,2,3,3,3-pentafluoroprop-1-en-1-amine
CID 15914333
1-Diethylaminoheptafluoroisobutylene
CID 129807003
N-(3,3-difluoroallyl)-diethylamine
CID 129878552
(2R)-N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine
CID 7158835
N,N-diethyl-1,2,3,3,3-pentafluoropropan-1-amine
CID 5092161
2,2,3,3-tetrafluoro-N-methyl-N-(2,2,3,3-tetrafluoropropyl)propan-1-amine
CID 12696965
Trimethyl(1,1,2,3,3-pentafluoroprop-2-enyl)azanium
CID 13041984
N,N-diethyl-1,1,1,2,3,3-hexafluoropropan-2-amine
CID 17955498
N,N-diethyl-1,2,2,3,3,3-hexafluoropropan-1-amine
CID 21945714

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,2,3,3-tetrafluoroprop-2-en-1-amine?
The IUPAC name of N,N-diethyl-1,2,3,3-tetrafluoroprop-2-en-1-amine (CID 174465974) is N,N-diethyl-1,2,3,3-tetrafluoroprop-2-en-1-amine.
What is the SMILES notation for N,N-diethyl-1,2,3,3-tetrafluoroprop-2-en-1-amine?
The canonical SMILES for N,N-diethyl-1,2,3,3-tetrafluoroprop-2-en-1-amine is CCN(CC)C(F)C(F)=C(F)F.
What is the InChIKey of N,N-diethyl-1,2,3,3-tetrafluoroprop-2-en-1-amine?
The InChIKey is LDDZQRDJNGTIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4N/c1-3-12(4-2)7(11)5(8)6(9)10/h7H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-1,2,3,3-tetrafluoroprop-2-en-1-amine?
N,N-diethyl-1,2,3,3-tetrafluoroprop-2-en-1-amine has a molecular weight of 185.16 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,2,3,3-tetrafluoroprop-2-en-1-amine is sourced from PubChem (CID 174465974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).