(1R,2E,5R)-2-ethylidene-5-fluoro-1-(3-fluorocyclohexen-1-yl)hexan-1-ol

C14H22F2O — CID 163560360

IUPAC(1R,2E,5R)-2-ethylidene-5-fluoro-1-(3-fluorocyclohexen-1-yl)hexan-1-ol
SMILESC/C=C(\CC[C@@H](C)F)[C@@H](O)C1=CC(F)CCC1
InChIInChI=1S/C14H22F2O/c1-3-11(8-7-10(2)15)14(17)12-5-4-6-13(16)9-12/h3,9-10,13-14,17H,4-8H2,1-2H3/b11-3+/t10-,13?,14-/m1/s1
InChIKeyFQSIOAURHAAJAN-QQAWIXNSSA-N
MW244.32 g/mol
LogP3.88
Rot. Bonds5

About (1R,2E,5R)-2-ethylidene-5-fluoro-1-(3-fluorocyclohexen-1-yl)hexan-1-ol

(1R,2E,5R)-2-ethylidene-5-fluoro-1-(3-fluorocyclohexen-1-yl)hexan-1-ol (PubChem CID 163560360) has the molecular formula C14H22F2O and a molecular weight of 244.32 g/mol. Its IUPAC name is (1R,2E,5R)-2-ethylidene-5-fluoro-1-(3-fluorocyclohexen-1-yl)hexan-1-ol.

Molecular Properties

Compound Name(1R,2E,5R)-2-ethylidene-5-fluoro-1-(3-fluorocyclohexen-1-yl)hexan-1-ol
PubChem CID163560360
Molecular FormulaC14H22F2O
Molecular Weight244.32 g/mol
Exact Mass244.16
IUPAC Name(1R,2E,5R)-2-ethylidene-5-fluoro-1-(3-fluorocyclohexen-1-yl)hexan-1-ol
SMILESC/C=C(\CC[C@@H](C)F)[C@@H](O)C1=CC(F)CCC1
InChIInChI=1S/C14H22F2O/c1-3-11(8-7-10(2)15)14(17)12-5-4-6-13(16)9-12/h3,9-10,13-14,17H,4-8H2,1-2H3/b11-3+/t10-,13?,14-/m1/s1
InChIKeyFQSIOAURHAAJAN-QQAWIXNSSA-N
XLogP3.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2E,5R)-2-ethylidene-5-fluoro-1-(3-fluorocyclohexen-1-yl)hexan-1-ol with MolForge

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Related Compounds

4-Methyldec-3-en-5-ol
CID 6441135
2-Cyclohexen-1-ol, 3-methyl-
CID 89487
4-Methyl-3-decen-5-ol
CID 163336
cis-Piperitenol
CID 6429050
2-Undecen-4-ol
CID 5366258
Decene-2-ol-4
CID 6429384
6-Methyl-2-methylene-6-octene-1,3,8-triol
CID 131752432
(1S)-3-methyl-6-propan-2-ylidenecyclohex-2-en-1-ol
CID 101600669
(E,7S)-3-methyltetradec-2-en-7-ol
CID 163046073
1-Cyclohexene-1-methanol, 4-(1-methylethylidene)-
CID 9877426
1-(1-Cyclohexen-1-yl)ethanol
CID 537539
1-Cyclohexenyl-3-buten-1-ol
CID 13346445

Frequently Asked Questions

What is the IUPAC name of (1R,2E,5R)-2-ethylidene-5-fluoro-1-(3-fluorocyclohexen-1-yl)hexan-1-ol?
The IUPAC name of (1R,2E,5R)-2-ethylidene-5-fluoro-1-(3-fluorocyclohexen-1-yl)hexan-1-ol (CID 163560360) is (1R,2E,5R)-2-ethylidene-5-fluoro-1-(3-fluorocyclohexen-1-yl)hexan-1-ol.
What is the SMILES notation for (1R,2E,5R)-2-ethylidene-5-fluoro-1-(3-fluorocyclohexen-1-yl)hexan-1-ol?
The canonical SMILES for (1R,2E,5R)-2-ethylidene-5-fluoro-1-(3-fluorocyclohexen-1-yl)hexan-1-ol is C/C=C(\CC[C@@H](C)F)[C@@H](O)C1=CC(F)CCC1.
What is the InChIKey of (1R,2E,5R)-2-ethylidene-5-fluoro-1-(3-fluorocyclohexen-1-yl)hexan-1-ol?
The InChIKey is FQSIOAURHAAJAN-QQAWIXNSSA-N. The full InChI is InChI=1S/C14H22F2O/c1-3-11(8-7-10(2)15)14(17)12-5-4-6-13(16)9-12/h3,9-10,13-14,17H,4-8H2,1-2H3/b11-3+/t10-,13?,14-/m1/s1.
What are the key properties of (1R,2E,5R)-2-ethylidene-5-fluoro-1-(3-fluorocyclohexen-1-yl)hexan-1-ol?
(1R,2E,5R)-2-ethylidene-5-fluoro-1-(3-fluorocyclohexen-1-yl)hexan-1-ol has a molecular weight of 244.32 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2E,5R)-2-ethylidene-5-fluoro-1-(3-fluorocyclohexen-1-yl)hexan-1-ol is sourced from PubChem (CID 163560360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).