(E)-1,1,1-trifluorododec-4-en-2-ol

C12H21F3O — CID 10988330

IUPAC(E)-1,1,1-trifluorododec-4-en-2-ol
SMILESCCCCCCC/C=C/CC(O)C(F)(F)F
InChIInChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h8-9,11,16H,2-7,10H2,1H3/b9-8+
InChIKeyUQUQVMOBIUAHED-CMDGGOBGSA-N
MW238.29 g/mol
LogP4.22
Rot. Bonds8

About (E)-1,1,1-trifluorododec-4-en-2-ol

(E)-1,1,1-trifluorododec-4-en-2-ol (PubChem CID 10988330) has the molecular formula C12H21F3O and a molecular weight of 238.29 g/mol. Its IUPAC name is (E)-1,1,1-trifluorododec-4-en-2-ol.

Molecular Properties

Compound Name(E)-1,1,1-trifluorododec-4-en-2-ol
PubChem CID10988330
Molecular FormulaC12H21F3O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name(E)-1,1,1-trifluorododec-4-en-2-ol
SMILESCCCCCCC/C=C/CC(O)C(F)(F)F
InChIInChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h8-9,11,16H,2-7,10H2,1H3/b9-8+
InChIKeyUQUQVMOBIUAHED-CMDGGOBGSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 14319405
(E)-heptadec-7-en-5-ol
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(Z)-octadec-10-en-8-ol
CID 173051806
(Z)-pentadec-8-en-6-ol
CID 10398809
(E,10S)-henicos-7-en-10-ol
CID 14607531
nonacos-6-ene
CID 25200821
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(Z)-heptacos-11-ene
CID 56936074
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluorododec-4-en-2-ol?
The IUPAC name of (E)-1,1,1-trifluorododec-4-en-2-ol (CID 10988330) is (E)-1,1,1-trifluorododec-4-en-2-ol.
What is the SMILES notation for (E)-1,1,1-trifluorododec-4-en-2-ol?
The canonical SMILES for (E)-1,1,1-trifluorododec-4-en-2-ol is CCCCCCC/C=C/CC(O)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluorododec-4-en-2-ol?
The InChIKey is UQUQVMOBIUAHED-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h8-9,11,16H,2-7,10H2,1H3/b9-8+.
What are the key properties of (E)-1,1,1-trifluorododec-4-en-2-ol?
(E)-1,1,1-trifluorododec-4-en-2-ol has a molecular weight of 238.29 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluorododec-4-en-2-ol is sourced from PubChem (CID 10988330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).