[(1S,4R)-1-butyl-4-ethenyl-4-fluoro-2-methylidenecyclopentyl]methanol

C13H21FO — CID 162730768

IUPAC[(1S,4R)-1-butyl-4-ethenyl-4-fluoro-2-methylidenecyclopentyl]methanol
SMILESC=C[C@@]1(F)CC(=C)[C@](CO)(CCCC)C1
InChIInChI=1S/C13H21FO/c1-4-6-7-12(10-15)9-13(14,5-2)8-11(12)3/h5,15H,2-4,6-10H2,1H3/t12-,13-/m1/s1
InChIKeyRCGQBKPVQBJVBI-CHWSQXEVSA-N
MW212.31 g/mol
LogP3.40
Rot. Bonds5

About [(1S,4R)-1-butyl-4-ethenyl-4-fluoro-2-methylidenecyclopentyl]methanol

[(1S,4R)-1-butyl-4-ethenyl-4-fluoro-2-methylidenecyclopentyl]methanol (PubChem CID 162730768) has the molecular formula C13H21FO and a molecular weight of 212.31 g/mol. Its IUPAC name is [(1S,4R)-1-butyl-4-ethenyl-4-fluoro-2-methylidenecyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,4R)-1-butyl-4-ethenyl-4-fluoro-2-methylidenecyclopentyl]methanol
PubChem CID162730768
Molecular FormulaC13H21FO
Molecular Weight212.31 g/mol
Exact Mass212.16
IUPAC Name[(1S,4R)-1-butyl-4-ethenyl-4-fluoro-2-methylidenecyclopentyl]methanol
SMILESC=C[C@@]1(F)CC(=C)[C@](CO)(CCCC)C1
InChIInChI=1S/C13H21FO/c1-4-6-7-12(10-15)9-13(14,5-2)8-11(12)3/h5,15H,2-4,6-10H2,1H3/t12-,13-/m1/s1
InChIKeyRCGQBKPVQBJVBI-CHWSQXEVSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 53.40
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

2-Butyl-2-ethenyl-3-fluorohexan-1-ol
CID 166974440
[(1S,3R)-3-Isopropyl-1-methyl-2-methylenecyclopentyl]methanol
CID 14136542
2-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]ethanol
CID 130903094
1-(4,4-Dimethyl-2-methylidenecyclopentyl)hexan-1-ol
CID 134906309
(3,3,4-Trimethyl-2-methylidenecyclopentyl)methanol
CID 133679951
[(1S,4S)-3,3,4-trimethyl-2-methylidenecyclopentyl]methanol
CID 15139297
2-(2,2,3-Trimethylcyclopentyl)pent-4-en-1-ol
CID 22914104
4-(2,2-Dimethyl-3-prop-2-enylcyclopentyl)-2-ethylpent-4-en-1-ol
CID 66699482
5-Methyl-3-methylidene-2,5-bis(prop-2-enyl)oct-7-en-1-ol
CID 87089177
5,5-Dimethyl-3-methylidene-2-prop-2-enyloct-7-en-1-ol
CID 87089189
2-(1-Methyl-2-methylidene-3-prop-1-en-2-ylcyclopentyl)ethanol
CID 145800148
(1-Butyl-2-methylidenecyclopentyl)methanol
CID 172596437

Frequently Asked Questions

What is the IUPAC name of [(1S,4R)-1-butyl-4-ethenyl-4-fluoro-2-methylidenecyclopentyl]methanol?
The IUPAC name of [(1S,4R)-1-butyl-4-ethenyl-4-fluoro-2-methylidenecyclopentyl]methanol (CID 162730768) is [(1S,4R)-1-butyl-4-ethenyl-4-fluoro-2-methylidenecyclopentyl]methanol.
What is the SMILES notation for [(1S,4R)-1-butyl-4-ethenyl-4-fluoro-2-methylidenecyclopentyl]methanol?
The canonical SMILES for [(1S,4R)-1-butyl-4-ethenyl-4-fluoro-2-methylidenecyclopentyl]methanol is C=C[C@@]1(F)CC(=C)[C@](CO)(CCCC)C1.
What is the InChIKey of [(1S,4R)-1-butyl-4-ethenyl-4-fluoro-2-methylidenecyclopentyl]methanol?
The InChIKey is RCGQBKPVQBJVBI-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H21FO/c1-4-6-7-12(10-15)9-13(14,5-2)8-11(12)3/h5,15H,2-4,6-10H2,1H3/t12-,13-/m1/s1.
What are the key properties of [(1S,4R)-1-butyl-4-ethenyl-4-fluoro-2-methylidenecyclopentyl]methanol?
[(1S,4R)-1-butyl-4-ethenyl-4-fluoro-2-methylidenecyclopentyl]methanol has a molecular weight of 212.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-1-butyl-4-ethenyl-4-fluoro-2-methylidenecyclopentyl]methanol is sourced from PubChem (CID 162730768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).