(Z)-3-fluoro-2-methyl-1-(2-methylpropoxy)but-2-ene

C9H17FO — CID 165061783

IUPAC(Z)-3-fluoro-2-methyl-1-(2-methylpropoxy)but-2-ene
SMILESC/C(F)=C(\C)COCC(C)C
InChIInChI=1S/C9H17FO/c1-7(2)5-11-6-8(3)9(4)10/h7H,5-6H2,1-4H3/b9-8-
InChIKeyJQCGSNNLXBSYJF-HJWRWDBZSA-N
MW160.23 g/mol
LogP2.92
Rot. Bonds4

About (Z)-3-fluoro-2-methyl-1-(2-methylpropoxy)but-2-ene

(Z)-3-fluoro-2-methyl-1-(2-methylpropoxy)but-2-ene (PubChem CID 165061783) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is (Z)-3-fluoro-2-methyl-1-(2-methylpropoxy)but-2-ene.

Molecular Properties

Compound Name(Z)-3-fluoro-2-methyl-1-(2-methylpropoxy)but-2-ene
PubChem CID165061783
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name(Z)-3-fluoro-2-methyl-1-(2-methylpropoxy)but-2-ene
SMILESC/C(F)=C(\C)COCC(C)C
InChIInChI=1S/C9H17FO/c1-7(2)5-11-6-8(3)9(4)10/h7H,5-6H2,1-4H3/b9-8-
InChIKeyJQCGSNNLXBSYJF-HJWRWDBZSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (Z)-3-fluoro-2-methyl-1-(2-methylpropoxy)but-2-ene 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

1,4-Difluoro-2-[[4-fluoro-2,3-bis(fluoromethyl)but-2-enoxy]methyl]-3-(fluoromethyl)but-2-ene
CID 117761348
1,1-Difluoro-2-methyl-4-(2-methylpropoxy)but-2-ene
CID 123274418
1-Ethoxy-2-fluoro-3-methylbut-2-ene
CID 123631798
(E)-2,3-difluoro-1-(2-methylpropoxy)but-2-ene
CID 165061781
1-Ethoxy-2,3-dimethylbut-2-ene
CID 14065120
3,4-Dimethyl-2,5-dihydrofuran;ethane
CID 90703118
2,3-Dimethyl-1-propoxybut-2-ene
CID 90890526
Methane;1-methoxy-2,3-dimethylbut-2-ene
CID 163880887
2,3-Dimethyl-1-(2-methylpropoxy)but-2-ene
CID 164954383
3,4-Dimethyl-2,5-dihydrofuran;ethane
CID 168951375
2,3-Dimethyl-1,4-dipropoxybut-2-ene
CID 131851897

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-2-methyl-1-(2-methylpropoxy)but-2-ene?
The IUPAC name of (Z)-3-fluoro-2-methyl-1-(2-methylpropoxy)but-2-ene (CID 165061783) is (Z)-3-fluoro-2-methyl-1-(2-methylpropoxy)but-2-ene.
What is the SMILES notation for (Z)-3-fluoro-2-methyl-1-(2-methylpropoxy)but-2-ene?
The canonical SMILES for (Z)-3-fluoro-2-methyl-1-(2-methylpropoxy)but-2-ene is C/C(F)=C(\C)COCC(C)C.
What is the InChIKey of (Z)-3-fluoro-2-methyl-1-(2-methylpropoxy)but-2-ene?
The InChIKey is JQCGSNNLXBSYJF-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H17FO/c1-7(2)5-11-6-8(3)9(4)10/h7H,5-6H2,1-4H3/b9-8-.
What are the key properties of (Z)-3-fluoro-2-methyl-1-(2-methylpropoxy)but-2-ene?
(Z)-3-fluoro-2-methyl-1-(2-methylpropoxy)but-2-ene has a molecular weight of 160.23 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-2-methyl-1-(2-methylpropoxy)but-2-ene is sourced from PubChem (CID 165061783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).