(2R)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine

C9H16F3N — CID 146266978

IUPAC(2R)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine
SMILESC=C(C)C[C@@H](C)N(C)CC(F)(F)F
InChIInChI=1S/C9H16F3N/c1-7(2)5-8(3)13(4)6-9(10,11)12/h8H,1,5-6H2,2-4H3/t8-/m1/s1
InChIKeyHPWYJXUJXWKOMR-MRVPVSSYSA-N
MW195.23 g/mol
LogP2.84
Rot. Bonds4

About (2R)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine

(2R)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine (PubChem CID 146266978) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is (2R)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine.

Molecular Properties

Compound Name(2R)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine
PubChem CID146266978
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name(2R)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine
SMILESC=C(C)C[C@@H](C)N(C)CC(F)(F)F
InChIInChI=1S/C9H16F3N/c1-7(2)5-8(3)13(4)6-9(10,11)12/h8H,1,5-6H2,2-4H3/t8-/m1/s1
InChIKeyHPWYJXUJXWKOMR-MRVPVSSYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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'}

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Related Compounds

(2S)-1-fluoro-N,4-dimethyl-N-prop-2-ynylpent-4-en-2-amine
CID 71508602
6,6-difluoro-N,N,5-trimethyl-2-methylidenehex-5-en-1-amine
CID 58962881
4,4,4-trifluoro-N-(2-methylprop-2-enyl)-N-propan-2-ylbutan-1-amine
CID 121474445
1-(1,1,1,3,3-Pentafluoro-4-methylpent-4-en-2-yl)pyrrolidine
CID 124118200
1-(1,1,1,3,3-Pentafluoro-4-methylpent-4-en-2-yl)azepane
CID 124118201
1,1,1,3,3-pentafluoro-4-methyl-N,N-bis(trifluoromethyl)pent-4-en-2-amine
CID 124118208
1,1,1,3,3-pentafluoro-N,4-dimethyl-N-(trifluoromethyl)pent-4-en-2-amine
CID 134531068
1,1,1,3,3-pentafluoro-N,N,4-trimethylpent-4-en-2-amine
CID 134531076
(E,2R)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)hept-4-en-2-amine
CID 146266976
N-methyl-3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 146267020
1-[2-Methyl-4-(trifluoromethyl)penta-1,4-dien-3-yl]azepane
CID 148346968
N-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine
CID 166140934

Frequently Asked Questions

What is the IUPAC name of (2R)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine?
The IUPAC name of (2R)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine (CID 146266978) is (2R)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine.
What is the SMILES notation for (2R)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine?
The canonical SMILES for (2R)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine is C=C(C)C[C@@H](C)N(C)CC(F)(F)F.
What is the InChIKey of (2R)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine?
The InChIKey is HPWYJXUJXWKOMR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-7(2)5-8(3)13(4)6-9(10,11)12/h8H,1,5-6H2,2-4H3/t8-/m1/s1.
What are the key properties of (2R)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine?
(2R)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine has a molecular weight of 195.23 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine is sourced from PubChem (CID 146266978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).