2-(trifluoromethyl)pent-1-ene

C6H9F3 — CID 54180845

IUPAC2-(trifluoromethyl)pent-1-ene
SMILESC=C(CCC)C(F)(F)F
InChIInChI=1S/C6H9F3/c1-3-4-5(2)6(7,8)9/h2-4H2,1H3
InChIKeyHEADFQHTDRMTMF-UHFFFAOYSA-N
MW138.13 g/mol
LogP2.90
Rot. Bonds2

About 2-(trifluoromethyl)pent-1-ene

2-(trifluoromethyl)pent-1-ene (PubChem CID 54180845) has the molecular formula C6H9F3 and a molecular weight of 138.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)pent-1-ene.

Molecular Properties

Compound Name2-(trifluoromethyl)pent-1-ene
PubChem CID54180845
Molecular FormulaC6H9F3
Molecular Weight138.13 g/mol
Exact Mass138.07
IUPAC Name2-(trifluoromethyl)pent-1-ene
SMILESC=C(CCC)C(F)(F)F
InChIInChI=1S/C6H9F3/c1-3-4-5(2)6(7,8)9/h2-4H2,1H3
InChIKeyHEADFQHTDRMTMF-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 52.90
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

(E)-1,2-difluorohex-1-ene
CID 5381415
(Z)-1,2-difluorohex-1-ene
CID 6385325
4,4,4-Trifluoro-2-methylbut-1-ene
CID 14985016
2-(Trifluoromethyl)but-1-ene
CID 20793150
3,3-Difluoro-2-methylbut-1-ene
CID 88272296
5,5,5-Trifluoro-2,4-dimethylpent-1-ene
CID 13379970
2-Methyl-3,3,4,4,5,5,5-heptafluoro-pent-1-ene
CID 19091131
4,4,5,5,5-Pentafluoro-2-(trifluoromethyl)pent-1-ene
CID 71429448
3,3-Difluoro-2-methyl-1,4-pentadiene
CID 119098121
5,5,5-Trifluoro-2-(trifluoromethyl)pent-1-ene
CID 139426621
1,1,1,2,3,3-Hexafluoro-5-methylhexene-5
CID 12562976
1,1,1-Trifluoro-4-methyleneoctane
CID 146018304

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pent-1-ene?
The IUPAC name of 2-(trifluoromethyl)pent-1-ene (CID 54180845) is 2-(trifluoromethyl)pent-1-ene.
What is the SMILES notation for 2-(trifluoromethyl)pent-1-ene?
The canonical SMILES for 2-(trifluoromethyl)pent-1-ene is C=C(CCC)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)pent-1-ene?
The InChIKey is HEADFQHTDRMTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3/c1-3-4-5(2)6(7,8)9/h2-4H2,1H3.
What are the key properties of 2-(trifluoromethyl)pent-1-ene?
2-(trifluoromethyl)pent-1-ene has a molecular weight of 138.13 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pent-1-ene is sourced from PubChem (CID 54180845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).