methane;4,4,4-trifluorobut-1-ene

C6H13F3 — CID 157244358

IUPACmethane;4,4,4-trifluorobut-1-ene
SMILESC.C.C=CCC(F)(F)F
InChIInChI=1S/C4H5F3.2CH4/c1-2-3-4(5,6)7;;/h2H,1,3H2;2*1H4
InChIKeyAVOSLAKCVNLMOD-UHFFFAOYSA-N
MW142.16 g/mol
LogP3.40
Rot. Bonds1

About methane;4,4,4-trifluorobut-1-ene

methane;4,4,4-trifluorobut-1-ene (PubChem CID 157244358) has the molecular formula C6H13F3 and a molecular weight of 142.16 g/mol. Its IUPAC name is methane;4,4,4-trifluorobut-1-ene.

Molecular Properties

Compound Namemethane;4,4,4-trifluorobut-1-ene
PubChem CID157244358
Molecular FormulaC6H13F3
Molecular Weight142.16 g/mol
Exact Mass142.10
IUPAC Namemethane;4,4,4-trifluorobut-1-ene
SMILESC.C.C=CCC(F)(F)F
InChIInChI=1S/C4H5F3.2CH4/c1-2-3-4(5,6)7;;/h2H,1,3H2;2*1H4
InChIKeyAVOSLAKCVNLMOD-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

azane;4,4,4-trifluorobut-1-ene
CID 166791740
1,4,4-trifluorobut-1-ene;4,4,4-trifluorobut-1-ene
CID 160696871
3,3-difluorohexa-1,5-diene
CID 90930184
(2R)-2-fluoro-2-methylpent-4-en-1-ol
CID 57283986
4,5,5,5-tetrafluoro-4-methylpent-1-ene
CID 58901177
5-fluoro-4,4-bis(fluoromethyl)pent-1-ene
CID 57192744
1,1,1,2,3,3-hexafluorohex-5-en-2-ol
CID 23508681
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridec-1-ene
CID 11249951
5-fluoro-5-iodo-4,4-dimethylhex-1-ene
CID 166107161
N-chloro-4-prop-2-enylhepta-1,6-dien-4-amine
CID 139724286
4-dichlorophosphoryl-4,4-difluorobut-1-ene
CID 146291479
1,1,1,2,2-pentafluoro-3-(trifluoromethyl)hex-5-en-3-ol
CID 20743967

Frequently Asked Questions

What is the IUPAC name of methane;4,4,4-trifluorobut-1-ene?
The IUPAC name of methane;4,4,4-trifluorobut-1-ene (CID 157244358) is methane;4,4,4-trifluorobut-1-ene.
What is the SMILES notation for methane;4,4,4-trifluorobut-1-ene?
The canonical SMILES for methane;4,4,4-trifluorobut-1-ene is C.C.C=CCC(F)(F)F.
What is the InChIKey of methane;4,4,4-trifluorobut-1-ene?
The InChIKey is AVOSLAKCVNLMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3.2CH4/c1-2-3-4(5,6)7;;/h2H,1,3H2;2*1H4.
What are the key properties of methane;4,4,4-trifluorobut-1-ene?
methane;4,4,4-trifluorobut-1-ene has a molecular weight of 142.16 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4,4,4-trifluorobut-1-ene is sourced from PubChem (CID 157244358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).