N-ethyl-1,2,2-trifluoro-N-propylbut-3-en-1-amine

C9H16F3N — CID 155372716

IUPACN-ethyl-1,2,2-trifluoro-N-propylbut-3-en-1-amine
SMILESC=CC(F)(F)C(F)N(CC)CCC
InChIInChI=1S/C9H16F3N/c1-4-7-13(6-3)8(10)9(11,12)5-2/h5,8H,2,4,6-7H2,1,3H3
InChIKeyKVKDNPDSKLXECQ-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.84
Rot. Bonds6

About N-ethyl-1,2,2-trifluoro-N-propylbut-3-en-1-amine

N-ethyl-1,2,2-trifluoro-N-propylbut-3-en-1-amine (PubChem CID 155372716) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is N-ethyl-1,2,2-trifluoro-N-propylbut-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1,2,2-trifluoro-N-propylbut-3-en-1-amine
PubChem CID155372716
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC NameN-ethyl-1,2,2-trifluoro-N-propylbut-3-en-1-amine
SMILESC=CC(F)(F)C(F)N(CC)CCC
InChIInChI=1S/C9H16F3N/c1-4-7-13(6-3)8(10)9(11,12)5-2/h5,8H,2,4,6-7H2,1,3H3
InChIKeyKVKDNPDSKLXECQ-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

But-3-enyl-fluoro-dipropylazanium
CID 123194586
1,2-difluoro-N-(1,1,2,2,2-pentafluoroethyl)-N,2-bis(trifluoromethyl)but-3-en-1-amine
CID 124111232
N-methyl-N-(2,2,2-trifluoroethyl)pent-4-en-1-amine
CID 129267529
(2R)-N-(2,2-difluoropropyl)-N-methylbut-3-en-2-amine
CID 134269934
1,2-difluoro-N,N-dimethyl-2-(trifluoromethyl)but-3-en-1-amine
CID 134531036
2,2-difluoro-N,N-dimethylbut-3-en-1-amine
CID 148492732
Methyl-prop-2-enyl-propyl-(2,2,3,3-tetrafluoropropyl)azanium
CID 164122089
6,6-difluoro-1-methyl-3,7-dihydro-2H-azepine;ethane
CID 166157616
2,2-difluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine
CID 169145618
But-3-enyl-methyl-prop-2-enyl-(trifluoromethyl)azanium
CID 175071246
Tris(prop-2-enyl)-(3,3,3-trifluoropropyl)azanium
CID 176307795
(2R)-N-methyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine
CID 177319524

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,2,2-trifluoro-N-propylbut-3-en-1-amine?
The IUPAC name of N-ethyl-1,2,2-trifluoro-N-propylbut-3-en-1-amine (CID 155372716) is N-ethyl-1,2,2-trifluoro-N-propylbut-3-en-1-amine.
What is the SMILES notation for N-ethyl-1,2,2-trifluoro-N-propylbut-3-en-1-amine?
The canonical SMILES for N-ethyl-1,2,2-trifluoro-N-propylbut-3-en-1-amine is C=CC(F)(F)C(F)N(CC)CCC.
What is the InChIKey of N-ethyl-1,2,2-trifluoro-N-propylbut-3-en-1-amine?
The InChIKey is KVKDNPDSKLXECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-4-7-13(6-3)8(10)9(11,12)5-2/h5,8H,2,4,6-7H2,1,3H3.
What are the key properties of N-ethyl-1,2,2-trifluoro-N-propylbut-3-en-1-amine?
N-ethyl-1,2,2-trifluoro-N-propylbut-3-en-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,2,2-trifluoro-N-propylbut-3-en-1-amine is sourced from PubChem (CID 155372716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).