(E)-1-cyclopentyl-4,4-difluorodec-1-en-3-ol

C15H26F2O — CID 162547642

IUPAC(E)-1-cyclopentyl-4,4-difluorodec-1-en-3-ol
SMILESCCCCCCC(F)(F)C(O)/C=C/C1CCCC1
InChIInChI=1S/C15H26F2O/c1-2-3-4-7-12-15(16,17)14(18)11-10-13-8-5-6-9-13/h10-11,13-14,18H,2-9,12H2,1H3/b11-10+
InChIKeySTBLBDIBBBWJDI-ZHACJKMWSA-N
MW260.37 g/mol
LogP4.70
Rot. Bonds8

About (E)-1-cyclopentyl-4,4-difluorodec-1-en-3-ol

(E)-1-cyclopentyl-4,4-difluorodec-1-en-3-ol (PubChem CID 162547642) has the molecular formula C15H26F2O and a molecular weight of 260.37 g/mol. Its IUPAC name is (E)-1-cyclopentyl-4,4-difluorodec-1-en-3-ol.

Molecular Properties

Compound Name(E)-1-cyclopentyl-4,4-difluorodec-1-en-3-ol
PubChem CID162547642
Molecular FormulaC15H26F2O
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name(E)-1-cyclopentyl-4,4-difluorodec-1-en-3-ol
SMILESCCCCCCC(F)(F)C(O)/C=C/C1CCCC1
InChIInChI=1S/C15H26F2O/c1-2-3-4-7-12-15(16,17)14(18)11-10-13-8-5-6-9-13/h10-11,13-14,18H,2-9,12H2,1H3/b11-10+
InChIKeySTBLBDIBBBWJDI-ZHACJKMWSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 54.70
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 121443889
3,3-difluoro-2-methylheptadecane
CID 22951834
2-[(1S,2S,3S,5R)-2-[(3S)-4,4-difluoro-3-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]acetaldehyde
CID 88825255
non-1-enylcyclopentane
CID 86065492
(E,6S)-1-cyclopentyl-4,4-difluoro-6-methyloct-1-en-3-one;methyl heptanoate
CID 144503968
2,2-difluorononadecylcycloundecane
CID 90054056
2-octadecoxyethenylcyclohexane
CID 57025931
cyclohexanecarbaldehyde;formaldehyde;hexane;hydroperoxymethane;octane
CID 142384016
[(E)-3-prop-2-enylhept-1-enyl]cyclohexane
CID 102059705
(E,3R)-5-cyclohexyl-3-(trifluoromethyl)pent-4-enamide
CID 102092702
3-cyclohexylnonan-3-ylphosphane
CID 174798619
(Z,2R)-1,1,1-trifluorodec-3-en-2-ol
CID 14319405

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopentyl-4,4-difluorodec-1-en-3-ol?
The IUPAC name of (E)-1-cyclopentyl-4,4-difluorodec-1-en-3-ol (CID 162547642) is (E)-1-cyclopentyl-4,4-difluorodec-1-en-3-ol.
What is the SMILES notation for (E)-1-cyclopentyl-4,4-difluorodec-1-en-3-ol?
The canonical SMILES for (E)-1-cyclopentyl-4,4-difluorodec-1-en-3-ol is CCCCCCC(F)(F)C(O)/C=C/C1CCCC1.
What is the InChIKey of (E)-1-cyclopentyl-4,4-difluorodec-1-en-3-ol?
The InChIKey is STBLBDIBBBWJDI-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H26F2O/c1-2-3-4-7-12-15(16,17)14(18)11-10-13-8-5-6-9-13/h10-11,13-14,18H,2-9,12H2,1H3/b11-10+.
What are the key properties of (E)-1-cyclopentyl-4,4-difluorodec-1-en-3-ol?
(E)-1-cyclopentyl-4,4-difluorodec-1-en-3-ol has a molecular weight of 260.37 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopentyl-4,4-difluorodec-1-en-3-ol is sourced from PubChem (CID 162547642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).