5-chloro-4,5,5-trifluoropent-1-ene

C5H6ClF3 — CID 13128777

IUPAC5-chloro-4,5,5-trifluoropent-1-ene
SMILESC=CCC(F)C(F)(F)Cl
InChIInChI=1S/C5H6ClF3/c1-2-3-4(7)5(6,8)9/h2,4H,1,3H2
InChIKeyGSVLPIJRADUIEI-UHFFFAOYSA-N
MW158.55 g/mol
LogP2.73
Rot. Bonds3

About 5-chloro-4,5,5-trifluoropent-1-ene

5-chloro-4,5,5-trifluoropent-1-ene (PubChem CID 13128777) has the molecular formula C5H6ClF3 and a molecular weight of 158.55 g/mol. Its IUPAC name is 5-chloro-4,5,5-trifluoropent-1-ene.

Molecular Properties

Compound Name5-chloro-4,5,5-trifluoropent-1-ene
PubChem CID13128777
Molecular FormulaC5H6ClF3
Molecular Weight158.55 g/mol
Exact Mass158.01
IUPAC Name5-chloro-4,5,5-trifluoropent-1-ene
SMILESC=CCC(F)C(F)(F)Cl
InChIInChI=1S/C5H6ClF3/c1-2-3-4(7)5(6,8)9/h2,4H,1,3H2
InChIKeyGSVLPIJRADUIEI-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.55
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-Chloro-4,4,5,5,6,6,7,7-octafluorohept-1-ene
CID 14028188
5-Chloro-4,4,5,5-tetrafluoropent-1-ene
CID 13511002
4,4-Dichloro-5,5,5-trifluoropent-1-ene
CID 14816567
5-Chloro-6,6-difluorohex-1-ene
CID 129923826
4,5-Dichloro-4,5,5-trifluoropent-1-ene
CID 13128776
(E)-1-chloro-5,5,5-trifluoropent-1-ene
CID 13379974
2-Chloro-1,1,3,3,6-pentafluorohexa-1,5-diene
CID 57237290
1-Chloro-5,5,5-trifluoropent-1-ene
CID 73181128
2-Chloro-3,4,4,5,5-pentafluoropent-1-ene
CID 87403789
2-Chloro-3,4,5,5,5-pentafluoropent-1-ene
CID 87404006
2-Chloro-4,4,5,5,5-pentafluoropent-1-ene
CID 87404007
2-Chloro-3,4,4,5-tetrafluoropent-1-ene
CID 87404009

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,5,5-trifluoropent-1-ene?
The IUPAC name of 5-chloro-4,5,5-trifluoropent-1-ene (CID 13128777) is 5-chloro-4,5,5-trifluoropent-1-ene.
What is the SMILES notation for 5-chloro-4,5,5-trifluoropent-1-ene?
The canonical SMILES for 5-chloro-4,5,5-trifluoropent-1-ene is C=CCC(F)C(F)(F)Cl.
What is the InChIKey of 5-chloro-4,5,5-trifluoropent-1-ene?
The InChIKey is GSVLPIJRADUIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClF3/c1-2-3-4(7)5(6,8)9/h2,4H,1,3H2.
What are the key properties of 5-chloro-4,5,5-trifluoropent-1-ene?
5-chloro-4,5,5-trifluoropent-1-ene has a molecular weight of 158.55 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,5,5-trifluoropent-1-ene is sourced from PubChem (CID 13128777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).