(Z)-N-ethyl-5,5,5-trifluoro-3,4-dimethylpent-3-en-1-amine

C9H16F3N — CID 90084223

IUPAC(Z)-N-ethyl-5,5,5-trifluoro-3,4-dimethylpent-3-en-1-amine
SMILESCCNCC/C(C)=C(/C)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-4-13-6-5-7(2)8(3)9(10,11)12/h13H,4-6H2,1-3H3/b8-7-
InChIKeyPLEKZEGCDZLZCA-FPLPWBNLSA-N
MW195.23 g/mol
LogP2.88
Rot. Bonds4

About (Z)-N-ethyl-5,5,5-trifluoro-3,4-dimethylpent-3-en-1-amine

(Z)-N-ethyl-5,5,5-trifluoro-3,4-dimethylpent-3-en-1-amine (PubChem CID 90084223) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is (Z)-N-ethyl-5,5,5-trifluoro-3,4-dimethylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-5,5,5-trifluoro-3,4-dimethylpent-3-en-1-amine
PubChem CID90084223
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name(Z)-N-ethyl-5,5,5-trifluoro-3,4-dimethylpent-3-en-1-amine
SMILESCCNCC/C(C)=C(/C)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-4-13-6-5-7(2)8(3)9(10,11)12/h13H,4-6H2,1-3H3/b8-7-
InChIKeyPLEKZEGCDZLZCA-FPLPWBNLSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 89243573
(Z)-N-ethyl-3-fluoro-2-propan-2-ylbut-2-en-1-amine
CID 135269207
N-ethyl-4,4-difluoro-3-methylbut-3-en-1-amine
CID 145467910
(3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine
CID 155160727
(3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine
CID 155160809
ethane;3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole
CID 162764925
1,2,5-trimethyl-4-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-azepin-1-ium
CID 164021273
(E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine
CID 170259421
(E)-3-ethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine
CID 170260476
N-ethyl-7,7,7-trifluoro-4-methylhept-3-en-1-amine
CID 79598070
5,5,5-trifluoro-4-methyl-N-propylpent-3-en-1-amine
CID 79598087
7,7,7-trifluoro-4-methyl-N-propylhept-3-en-1-amine
CID 79598859

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-5,5,5-trifluoro-3,4-dimethylpent-3-en-1-amine?
The IUPAC name of (Z)-N-ethyl-5,5,5-trifluoro-3,4-dimethylpent-3-en-1-amine (CID 90084223) is (Z)-N-ethyl-5,5,5-trifluoro-3,4-dimethylpent-3-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-5,5,5-trifluoro-3,4-dimethylpent-3-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-5,5,5-trifluoro-3,4-dimethylpent-3-en-1-amine is CCNCC/C(C)=C(/C)C(F)(F)F.
What is the InChIKey of (Z)-N-ethyl-5,5,5-trifluoro-3,4-dimethylpent-3-en-1-amine?
The InChIKey is PLEKZEGCDZLZCA-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H16F3N/c1-4-13-6-5-7(2)8(3)9(10,11)12/h13H,4-6H2,1-3H3/b8-7-.
What are the key properties of (Z)-N-ethyl-5,5,5-trifluoro-3,4-dimethylpent-3-en-1-amine?
(Z)-N-ethyl-5,5,5-trifluoro-3,4-dimethylpent-3-en-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-5,5,5-trifluoro-3,4-dimethylpent-3-en-1-amine is sourced from PubChem (CID 90084223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).