(3R)-3-(4-chlorophenyl)-3-fluorooctan-1-ol

C14H20ClFO — CID 138375702

IUPAC(3R)-3-(4-chlorophenyl)-3-fluorooctan-1-ol
SMILESCCCCC[C@@](F)(CCO)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClFO/c1-2-3-4-9-14(16,10-11-17)12-5-7-13(15)8-6-12/h5-8,17H,2-4,9-11H2,1H3/t14-/m1/s1
InChIKeyTVZHLBUOSCQFNW-CQSZACIVSA-N
MW258.76 g/mol
LogP4.47
Rot. Bonds7

About (3R)-3-(4-chlorophenyl)-3-fluorooctan-1-ol

(3R)-3-(4-chlorophenyl)-3-fluorooctan-1-ol (PubChem CID 138375702) has the molecular formula C14H20ClFO and a molecular weight of 258.76 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-3-fluorooctan-1-ol.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-3-fluorooctan-1-ol
PubChem CID138375702
Molecular FormulaC14H20ClFO
Molecular Weight258.76 g/mol
Exact Mass258.12
IUPAC Name(3R)-3-(4-chlorophenyl)-3-fluorooctan-1-ol
SMILESCCCCC[C@@](F)(CCO)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClFO/c1-2-3-4-9-14(16,10-11-17)12-5-7-13(15)8-6-12/h5-8,17H,2-4,9-11H2,1H3/t14-/m1/s1
InChIKeyTVZHLBUOSCQFNW-CQSZACIVSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.76
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-beta-(4-chlorophenyl)benzeneethanol
CID 17533
p-Chlorophenethylic alcohol
CID 74647
4-Chloro-alpha,alpha-dimethylbenzeneethanol
CID 79609
3-(2-Chlorophenyl)-propan-1-ol
CID 221970
4-Chlorobenzenepropanol
CID 221971
m-Chlorophenethylic alcohol
CID 78856
o-Chlorophenethylic alcohol
CID 88266
2-(4-Chlorophenyl)prop-2-en-1-ol
CID 10654689
1-Chloro-4-(4-chlorophenyl)butan-2-ol
CID 12432033
3-(3-Chlorophenyl)propan-1-ol
CID 9989667
2-Chloro-2-(4-chlorophenyl)ethan-1-ol
CID 15683756
1,3-Propanediol, 2-(p-chlorophenyl)-2-ethyl-
CID 117493

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-3-fluorooctan-1-ol?
The IUPAC name of (3R)-3-(4-chlorophenyl)-3-fluorooctan-1-ol (CID 138375702) is (3R)-3-(4-chlorophenyl)-3-fluorooctan-1-ol.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-3-fluorooctan-1-ol?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-3-fluorooctan-1-ol is CCCCC[C@@](F)(CCO)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-3-fluorooctan-1-ol?
The InChIKey is TVZHLBUOSCQFNW-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20ClFO/c1-2-3-4-9-14(16,10-11-17)12-5-7-13(15)8-6-12/h5-8,17H,2-4,9-11H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-3-fluorooctan-1-ol?
(3R)-3-(4-chlorophenyl)-3-fluorooctan-1-ol has a molecular weight of 258.76 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-3-fluorooctan-1-ol is sourced from PubChem (CID 138375702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).