(E)-1-fluoro-N-(fluoromethyl)-2,4-dimethyl-N-propan-2-ylpent-2-en-3-amine

C11H21F2N — CID 174023168

IUPAC(E)-1-fluoro-N-(fluoromethyl)-2,4-dimethyl-N-propan-2-ylpent-2-en-3-amine
SMILESC/C(CF)=C(/C(C)C)N(CF)C(C)C
InChIInChI=1S/C11H21F2N/c1-8(2)11(10(5)6-12)14(7-13)9(3)4/h8-9H,6-7H2,1-5H3/b11-10+
InChIKeyLLUFMKGQQPBKIG-ZHACJKMWSA-N
MW205.29 g/mol
LogP3.52
Rot. Bonds5

About (E)-1-fluoro-N-(fluoromethyl)-2,4-dimethyl-N-propan-2-ylpent-2-en-3-amine

(E)-1-fluoro-N-(fluoromethyl)-2,4-dimethyl-N-propan-2-ylpent-2-en-3-amine (PubChem CID 174023168) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is (E)-1-fluoro-N-(fluoromethyl)-2,4-dimethyl-N-propan-2-ylpent-2-en-3-amine.

Molecular Properties

Compound Name(E)-1-fluoro-N-(fluoromethyl)-2,4-dimethyl-N-propan-2-ylpent-2-en-3-amine
PubChem CID174023168
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name(E)-1-fluoro-N-(fluoromethyl)-2,4-dimethyl-N-propan-2-ylpent-2-en-3-amine
SMILESC/C(CF)=C(/C(C)C)N(CF)C(C)C
InChIInChI=1S/C11H21F2N/c1-8(2)11(10(5)6-12)14(7-13)9(3)4/h8-9H,6-7H2,1-5H3/b11-10+
InChIKeyLLUFMKGQQPBKIG-ZHACJKMWSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1-fluoro-N-(fluoromethyl)-2,4-dimethyl-N-propan-2-ylpent-2-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine
CID 19761981
N,N-diethyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-amine
CID 132234556
1-(2,4-Dimethylpent-2-en-3-yl)-3-fluoro-3-methylazetidine
CID 163569908
1-(2,4-Dimethylpent-2-en-3-yl)-3,3-difluoroazetidine
CID 163708037
1,1-Dimethyl-5-propyl-4-(trifluoromethyl)-2,3-dihydropyrrol-1-ium
CID 102236800
4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
CID 160565377
(E)-N,3,4-trimethyl-N-propan-2-ylpent-2-en-2-amine
CID 22086825
2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine
CID 59242762
(Z)-N,3,4-trimethyl-N-propan-2-ylpent-2-en-2-amine
CID 59899242
N-ethyl-2-methyl-N-propylpent-2-en-3-amine
CID 91512977
1,4-Dimethyl-5-propan-2-yl-2,3-dihydropyrrole
CID 124142121
4,5-Dimethyl-1-propan-2-yl-2,3-dihydropyrrole
CID 126707368

Frequently Asked Questions

What is the IUPAC name of (E)-1-fluoro-N-(fluoromethyl)-2,4-dimethyl-N-propan-2-ylpent-2-en-3-amine?
The IUPAC name of (E)-1-fluoro-N-(fluoromethyl)-2,4-dimethyl-N-propan-2-ylpent-2-en-3-amine (CID 174023168) is (E)-1-fluoro-N-(fluoromethyl)-2,4-dimethyl-N-propan-2-ylpent-2-en-3-amine.
What is the SMILES notation for (E)-1-fluoro-N-(fluoromethyl)-2,4-dimethyl-N-propan-2-ylpent-2-en-3-amine?
The canonical SMILES for (E)-1-fluoro-N-(fluoromethyl)-2,4-dimethyl-N-propan-2-ylpent-2-en-3-amine is C/C(CF)=C(/C(C)C)N(CF)C(C)C.
What is the InChIKey of (E)-1-fluoro-N-(fluoromethyl)-2,4-dimethyl-N-propan-2-ylpent-2-en-3-amine?
The InChIKey is LLUFMKGQQPBKIG-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H21F2N/c1-8(2)11(10(5)6-12)14(7-13)9(3)4/h8-9H,6-7H2,1-5H3/b11-10+.
What are the key properties of (E)-1-fluoro-N-(fluoromethyl)-2,4-dimethyl-N-propan-2-ylpent-2-en-3-amine?
(E)-1-fluoro-N-(fluoromethyl)-2,4-dimethyl-N-propan-2-ylpent-2-en-3-amine has a molecular weight of 205.29 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-N-(fluoromethyl)-2,4-dimethyl-N-propan-2-ylpent-2-en-3-amine is sourced from PubChem (CID 174023168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).