(Z,1S)-1-[(4R)-4-fluorocyclohexen-1-yl]but-2-en-1-ol

C10H15FO — CID 89416544

IUPAC(Z,1S)-1-[(4R)-4-fluorocyclohexen-1-yl]but-2-en-1-ol
SMILESC/C=C\[C@H](O)C1=CC[C@H](F)CC1
InChIInChI=1S/C10H15FO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h2-4,9-10,12H,5-7H2,1H3/b3-2-/t9-,10-/m0/s1
InChIKeyUNKYLMNWGQECOD-ADLDAWLNSA-N
MW170.23 g/mol
LogP2.37
Rot. Bonds2

About (Z,1S)-1-[(4R)-4-fluorocyclohexen-1-yl]but-2-en-1-ol

(Z,1S)-1-[(4R)-4-fluorocyclohexen-1-yl]but-2-en-1-ol (PubChem CID 89416544) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is (Z,1S)-1-[(4R)-4-fluorocyclohexen-1-yl]but-2-en-1-ol.

Molecular Properties

Compound Name(Z,1S)-1-[(4R)-4-fluorocyclohexen-1-yl]but-2-en-1-ol
PubChem CID89416544
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name(Z,1S)-1-[(4R)-4-fluorocyclohexen-1-yl]but-2-en-1-ol
SMILESC/C=C\[C@H](O)C1=CC[C@H](F)CC1
InChIInChI=1S/C10H15FO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h2-4,9-10,12H,5-7H2,1H3/b3-2-/t9-,10-/m0/s1
InChIKeyUNKYLMNWGQECOD-ADLDAWLNSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.37
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

4-Methyl-3-decen-5-ol
CID 163336
4-Methyldec-3-en-5-ol
CID 6441135
2-Cyclohexen-1-ol, 3-methyl-
CID 89487
Cyclooct-2-en-1-ol
CID 5380758
2-Methyl-2-cyclohexen-1-ol
CID 300312
cis-Piperitenol
CID 6429050
2-Undecen-4-ol
CID 5366258
Decene-2-ol-4
CID 6429384
(1S)-3-methyl-6-propan-2-ylidenecyclohex-2-en-1-ol
CID 101600669
1-Cyclohexene-1-methanol, 4-(1-methylethylidene)-
CID 9877426
1-(1-Cyclohexen-1-yl)ethanol
CID 537539
2-Cyclododecen-1-ol
CID 12504318

Frequently Asked Questions

What is the IUPAC name of (Z,1S)-1-[(4R)-4-fluorocyclohexen-1-yl]but-2-en-1-ol?
The IUPAC name of (Z,1S)-1-[(4R)-4-fluorocyclohexen-1-yl]but-2-en-1-ol (CID 89416544) is (Z,1S)-1-[(4R)-4-fluorocyclohexen-1-yl]but-2-en-1-ol.
What is the SMILES notation for (Z,1S)-1-[(4R)-4-fluorocyclohexen-1-yl]but-2-en-1-ol?
The canonical SMILES for (Z,1S)-1-[(4R)-4-fluorocyclohexen-1-yl]but-2-en-1-ol is C/C=C\[C@H](O)C1=CC[C@H](F)CC1.
What is the InChIKey of (Z,1S)-1-[(4R)-4-fluorocyclohexen-1-yl]but-2-en-1-ol?
The InChIKey is UNKYLMNWGQECOD-ADLDAWLNSA-N. The full InChI is InChI=1S/C10H15FO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h2-4,9-10,12H,5-7H2,1H3/b3-2-/t9-,10-/m0/s1.
What are the key properties of (Z,1S)-1-[(4R)-4-fluorocyclohexen-1-yl]but-2-en-1-ol?
(Z,1S)-1-[(4R)-4-fluorocyclohexen-1-yl]but-2-en-1-ol has a molecular weight of 170.23 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S)-1-[(4R)-4-fluorocyclohexen-1-yl]but-2-en-1-ol is sourced from PubChem (CID 89416544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).