(E)-3,3,4,4,5,5,6,6,7,7-decafluorododec-10-en-1-ol

C12H14F10O — CID 121403461

IUPAC(E)-3,3,4,4,5,5,6,6,7,7-decafluorododec-10-en-1-ol
SMILESC/C=C/CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCO
InChIInChI=1S/C12H14F10O/c1-2-3-4-5-8(13,14)10(17,18)12(21,22)11(19,20)9(15,16)6-7-23/h2-3,23H,4-7H2,1H3/b3-2+
InChIKeyHNFSHMPSPFGHSO-NSCUHMNNSA-N
MW364.22 g/mol
LogP4.90
Rot. Bonds9

About (E)-3,3,4,4,5,5,6,6,7,7-decafluorododec-10-en-1-ol

(E)-3,3,4,4,5,5,6,6,7,7-decafluorododec-10-en-1-ol (PubChem CID 121403461) has the molecular formula C12H14F10O and a molecular weight of 364.22 g/mol. Its IUPAC name is (E)-3,3,4,4,5,5,6,6,7,7-decafluorododec-10-en-1-ol.

Molecular Properties

Compound Name(E)-3,3,4,4,5,5,6,6,7,7-decafluorododec-10-en-1-ol
PubChem CID121403461
Molecular FormulaC12H14F10O
Molecular Weight364.22 g/mol
Exact Mass364.09
IUPAC Name(E)-3,3,4,4,5,5,6,6,7,7-decafluorododec-10-en-1-ol
SMILESC/C=C/CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCO
InChIInChI=1S/C12H14F10O/c1-2-3-4-5-8(13,14)10(17,18)12(21,22)11(19,20)9(15,16)6-7-23/h2-3,23H,4-7H2,1H3/b3-2+
InChIKeyHNFSHMPSPFGHSO-NSCUHMNNSA-N
XLogP4.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3,3,4,4,5,5,6,6,7,7-decafluorododec-10-en-1-ol?
The IUPAC name of (E)-3,3,4,4,5,5,6,6,7,7-decafluorododec-10-en-1-ol (CID 121403461) is (E)-3,3,4,4,5,5,6,6,7,7-decafluorododec-10-en-1-ol.
What is the SMILES notation for (E)-3,3,4,4,5,5,6,6,7,7-decafluorododec-10-en-1-ol?
The canonical SMILES for (E)-3,3,4,4,5,5,6,6,7,7-decafluorododec-10-en-1-ol is C/C=C/CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCO.
What is the InChIKey of (E)-3,3,4,4,5,5,6,6,7,7-decafluorododec-10-en-1-ol?
The InChIKey is HNFSHMPSPFGHSO-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H14F10O/c1-2-3-4-5-8(13,14)10(17,18)12(21,22)11(19,20)9(15,16)6-7-23/h2-3,23H,4-7H2,1H3/b3-2+.
What are the key properties of (E)-3,3,4,4,5,5,6,6,7,7-decafluorododec-10-en-1-ol?
(E)-3,3,4,4,5,5,6,6,7,7-decafluorododec-10-en-1-ol has a molecular weight of 364.22 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3,4,4,5,5,6,6,7,7-decafluorododec-10-en-1-ol is sourced from PubChem (CID 121403461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).