(Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol

C10H4F16O — CID 102450031

IUPAC(Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol
SMILESOC/C=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H4F16O/c11-3(1-2-27)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1,27H,2H2/b3-1-
InChIKeyFLEHTDGKLLDEFH-IWQZZHSRSA-N
MW444.11 g/mol
LogP5.21
Rot. Bonds7

About (Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol

(Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol (PubChem CID 102450031) has the molecular formula C10H4F16O and a molecular weight of 444.11 g/mol. Its IUPAC name is (Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol
PubChem CID102450031
Molecular FormulaC10H4F16O
Molecular Weight444.11 g/mol
Exact Mass444.00
IUPAC Name(Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol
SMILESOC/C=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H4F16O/c11-3(1-2-27)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1,27H,2H2/b3-1-
InChIKeyFLEHTDGKLLDEFH-IWQZZHSRSA-N
XLogP5.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.11
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol with MolForge

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Related Compounds

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CID 165364863
3,3,4,4,5,5,6,6,7,7,8,11,12,12,13,13,14,14,15,15,16,16,16-tricosafluorohexadeca-8,10-dien-1-ol
CID 140934909
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
3,4,4,5,5,6,6,7,7,7-decafluorohept-2-enoic acid
CID 91118314
1-(dimethylamino)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-tetracosafluoropentadec-3-en-2-ol
CID 165365028
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-tetracosafluorotridec-1-ene
CID 162345261
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-dotriacontafluoroheptadec-1-ene
CID 162345633
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-octadecafluorodec-1-ene
CID 175705428
1,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptan-2-one
CID 175056304
1-chloro-2,3,3,4,4,5,5,5-octafluoropent-1-ene
CID 151086807
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913

Frequently Asked Questions

What is the IUPAC name of (Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol?
The IUPAC name of (Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol (CID 102450031) is (Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol.
What is the SMILES notation for (Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol?
The canonical SMILES for (Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol is OC/C=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol?
The InChIKey is FLEHTDGKLLDEFH-IWQZZHSRSA-N. The full InChI is InChI=1S/C10H4F16O/c11-3(1-2-27)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1,27H,2H2/b3-1-.
What are the key properties of (Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol?
(Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol has a molecular weight of 444.11 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol is sourced from PubChem (CID 102450031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).