4,4-difluoro-3-methyl-1-[(1R)-3-methylidenecyclopentyl]octan-3-ol

C15H26F2O — CID 142984266

IUPAC4,4-difluoro-3-methyl-1-[(1R)-3-methylidenecyclopentyl]octan-3-ol
SMILESC=C1CC[C@H](CCC(C)(O)C(F)(F)CCCC)C1
InChIInChI=1S/C15H26F2O/c1-4-5-9-15(16,17)14(3,18)10-8-13-7-6-12(2)11-13/h13,18H,2,4-11H2,1,3H3/t13-,14?/m1/s1
InChIKeyAIRWHDUBWZDXEZ-KWCCSABGSA-N
MW260.37 g/mol
LogP4.70
Rot. Bonds7

About 4,4-difluoro-3-methyl-1-[(1R)-3-methylidenecyclopentyl]octan-3-ol

4,4-difluoro-3-methyl-1-[(1R)-3-methylidenecyclopentyl]octan-3-ol (PubChem CID 142984266) has the molecular formula C15H26F2O and a molecular weight of 260.37 g/mol. Its IUPAC name is 4,4-difluoro-3-methyl-1-[(1R)-3-methylidenecyclopentyl]octan-3-ol.

Molecular Properties

Compound Name4,4-difluoro-3-methyl-1-[(1R)-3-methylidenecyclopentyl]octan-3-ol
PubChem CID142984266
Molecular FormulaC15H26F2O
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name4,4-difluoro-3-methyl-1-[(1R)-3-methylidenecyclopentyl]octan-3-ol
SMILESC=C1CC[C@H](CCC(C)(O)C(F)(F)CCCC)C1
InChIInChI=1S/C15H26F2O/c1-4-5-9-15(16,17)14(3,18)10-8-13-7-6-12(2)11-13/h13,18H,2,4-11H2,1,3H3/t13-,14?/m1/s1
InChIKeyAIRWHDUBWZDXEZ-KWCCSABGSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

12,12-Difluoro-2-methyl-11-dodecen-2-ol
CID 19915356
1,1,1,5,5,6,7,7-Octafluoro-4-(2-spiro[3.4]octan-2-ylprop-2-enyl)-2-(trifluoromethyl)hept-6-en-2-ol
CID 23591021
1,1,1,6,7,7-Hexafluoro-4-(2-spiro[3.4]octan-2-ylprop-2-enyl)-2-(trifluoromethyl)hept-6-en-2-ol
CID 23591029
1,1,2,3,3-Pentafluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol
CID 23591033
1,1,2-Trifluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol
CID 23591037
4-(2-Cyclohexylprop-2-enyl)-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol
CID 23591061
4-(2-Cyclohexylprop-2-enyl)-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol
CID 23591062
6-Cyclohexyl-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
CID 23591073
6-Cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
CID 23591074
1,1,1,3,3,3-Hexafluoro-2-[(2-pent-1-en-3-ylcyclopentyl)methyl]propan-2-ol
CID 89164169
2-[(4-Ethenyl-2-methylcyclopentyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 89244640
(2R)-2-pent-4-enyl-1-(trifluoromethyl)cyclopentan-1-ol
CID 89929607

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methyl-1-[(1R)-3-methylidenecyclopentyl]octan-3-ol?
The IUPAC name of 4,4-difluoro-3-methyl-1-[(1R)-3-methylidenecyclopentyl]octan-3-ol (CID 142984266) is 4,4-difluoro-3-methyl-1-[(1R)-3-methylidenecyclopentyl]octan-3-ol.
What is the SMILES notation for 4,4-difluoro-3-methyl-1-[(1R)-3-methylidenecyclopentyl]octan-3-ol?
The canonical SMILES for 4,4-difluoro-3-methyl-1-[(1R)-3-methylidenecyclopentyl]octan-3-ol is C=C1CC[C@H](CCC(C)(O)C(F)(F)CCCC)C1.
What is the InChIKey of 4,4-difluoro-3-methyl-1-[(1R)-3-methylidenecyclopentyl]octan-3-ol?
The InChIKey is AIRWHDUBWZDXEZ-KWCCSABGSA-N. The full InChI is InChI=1S/C15H26F2O/c1-4-5-9-15(16,17)14(3,18)10-8-13-7-6-12(2)11-13/h13,18H,2,4-11H2,1,3H3/t13-,14?/m1/s1.
What are the key properties of 4,4-difluoro-3-methyl-1-[(1R)-3-methylidenecyclopentyl]octan-3-ol?
4,4-difluoro-3-methyl-1-[(1R)-3-methylidenecyclopentyl]octan-3-ol has a molecular weight of 260.37 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methyl-1-[(1R)-3-methylidenecyclopentyl]octan-3-ol is sourced from PubChem (CID 142984266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).