1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate

C5H4F10O2 — CID 139608619

IUPAC1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate
SMILESFC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)F.O.O
InChIInChI=1S/C5F10.2H2O/c6-1(2(7)8)3(9,10)4(11,12)5(13,14)15;;/h;2*1H2
InChIKeyMJWABHQJTBSMDW-UHFFFAOYSA-N
MW286.06 g/mol
LogP2.25
Rot. Bonds2

About 1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate

1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate (PubChem CID 139608619) has the molecular formula C5H4F10O2 and a molecular weight of 286.06 g/mol. Its IUPAC name is 1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate.

Molecular Properties

Compound Name1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate
PubChem CID139608619
Molecular FormulaC5H4F10O2
Molecular Weight286.06 g/mol
Exact Mass286.01
IUPAC Name1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate
SMILESFC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)F.O.O
InChIInChI=1S/C5F10.2H2O/c6-1(2(7)8)3(9,10)4(11,12)5(13,14)15;;/h;2*1H2
InChIKeyMJWABHQJTBSMDW-UHFFFAOYSA-N
XLogP2.25
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.06
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,5-dichloro-1,1,2,3,3,4,4,5-octafluoropent-1-ene
CID 139602827
1,2,3,3,4,4,5,5,5-nonafluoro-1-(1,2,3,3,4,5,5-heptafluoropenta-1,4-dienoxy)pent-1-ene
CID 173370354
1,1,1,2,2,3,3,4,4,5,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-5-ene
CID 85237088
1,1,2,3,3,4,4,5,5,6,6-undecafluorohept-1-ene
CID 87084377
1,1,2,3,3,4,4,5,5-nonafluoro-5-(1,1,2,2,3,3,4,5,5-nonafluoropent-4-enoxy)pent-1-ene
CID 87892167
1,1,2,4,4,5,5,5-octafluoro-3,3-bis(trifluoromethyl)pent-1-ene
CID 98117232
1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene
CID 173307973
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodec-1-ene;prop-2-enoic acid
CID 175128551
1,1,2,3,3,4,5,5,6,6,7,7,7-tridecafluoro-4-methoxyhept-1-ene
CID 150184728
CID 174637308
CID 174637308
methane;1,1,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-1-ene;3,4,4-trifluorobut-3-en-2-one
CID 160651878
1,1,2,3,3,4,4,5,5-nonafluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene
CID 14496010

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate?
The IUPAC name of 1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate (CID 139608619) is 1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate.
What is the SMILES notation for 1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate?
The canonical SMILES for 1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate is FC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)F.O.O.
What is the InChIKey of 1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate?
The InChIKey is MJWABHQJTBSMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F10.2H2O/c6-1(2(7)8)3(9,10)4(11,12)5(13,14)15;;/h;2*1H2.
What are the key properties of 1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate?
1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate has a molecular weight of 286.06 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate is sourced from PubChem (CID 139608619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).