3-methylbut-1-ene;1,1,1-trifluoropentane

C10H19F3 — CID 177138498

IUPAC3-methylbut-1-ene;1,1,1-trifluoropentane
SMILESC=CC(C)C.CCCCC(F)(F)F
InChIInChI=1S/C5H9F3.C5H10/c1-2-3-4-5(6,7)8;1-4-5(2)3/h2-4H2,1H3;4-5H,1H2,2-3H3
InChIKeyGSYAYGQDHUIXDR-UHFFFAOYSA-N
MW196.26 g/mol
LogP4.57
Rot. Bonds3

About 3-methylbut-1-ene;1,1,1-trifluoropentane

3-methylbut-1-ene;1,1,1-trifluoropentane (PubChem CID 177138498) has the molecular formula C10H19F3 and a molecular weight of 196.26 g/mol. Its IUPAC name is 3-methylbut-1-ene;1,1,1-trifluoropentane.

Molecular Properties

Compound Name3-methylbut-1-ene;1,1,1-trifluoropentane
PubChem CID177138498
Molecular FormulaC10H19F3
Molecular Weight196.26 g/mol
Exact Mass196.14
IUPAC Name3-methylbut-1-ene;1,1,1-trifluoropentane
SMILESC=CC(C)C.CCCCC(F)(F)F
InChIInChI=1S/C5H9F3.C5H10/c1-2-3-4-5(6,7)8;1-4-5(2)3/h2-4H2,1H3;4-5H,1H2,2-3H3
InChIKeyGSYAYGQDHUIXDR-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-methylbut-1-ene;1,1,1-trifluoropentane 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

iron(3+);1,1,1-trifluoropentane
CID 161198772
1,1,1-trifluorohexadecane
CID 15685316
3-methylbut-1-ene;2-methylheptane
CID 157223055
(3S)-6,6,6-trifluoro-3-propan-2-ylhex-1-ene
CID 137420305
1,1,1-trifluoro-4-methyldecane
CID 147899191
1,1,1,7,7-pentafluoroheptadecane
CID 54180623
5,5-difluorononane
CID 21410163
2-ethenyl-6,6,6-trifluorohexan-1-ol
CID 89142084
1,1,1-trifluoro-6-methylidenedecane
CID 146018318
ethane;3-methyl-3-propan-2-ylhept-1-ene
CID 162730739
1,1,1-trifluoro-5-(1-iodoethyl)undecane
CID 142693981
3-methylbut-1-ene;hydrobromide
CID 158395600

Frequently Asked Questions

What is the IUPAC name of 3-methylbut-1-ene;1,1,1-trifluoropentane?
The IUPAC name of 3-methylbut-1-ene;1,1,1-trifluoropentane (CID 177138498) is 3-methylbut-1-ene;1,1,1-trifluoropentane.
What is the SMILES notation for 3-methylbut-1-ene;1,1,1-trifluoropentane?
The canonical SMILES for 3-methylbut-1-ene;1,1,1-trifluoropentane is C=CC(C)C.CCCCC(F)(F)F.
What is the InChIKey of 3-methylbut-1-ene;1,1,1-trifluoropentane?
The InChIKey is GSYAYGQDHUIXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3.C5H10/c1-2-3-4-5(6,7)8;1-4-5(2)3/h2-4H2,1H3;4-5H,1H2,2-3H3.
What are the key properties of 3-methylbut-1-ene;1,1,1-trifluoropentane?
3-methylbut-1-ene;1,1,1-trifluoropentane has a molecular weight of 196.26 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-1-ene;1,1,1-trifluoropentane is sourced from PubChem (CID 177138498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).