2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol

C13H16ClFO — CID 107005515

IUPAC2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol
SMILESCC1(C)CC1C(O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H16ClFO/c1-13(2)7-9(13)12(16)6-8-3-4-11(15)10(14)5-8/h3-5,9,12,16H,6-7H2,1-2H3
InChIKeyPPNYXFSLKWIVBG-UHFFFAOYSA-N
MW242.72 g/mol
LogP3.43
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol

2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol (PubChem CID 107005515) has the molecular formula C13H16ClFO and a molecular weight of 242.72 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol
PubChem CID107005515
Molecular FormulaC13H16ClFO
Molecular Weight242.72 g/mol
Exact Mass242.09
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol
SMILESCC1(C)CC1C(O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H16ClFO/c1-13(2)7-9(13)12(16)6-8-3-4-11(15)10(14)5-8/h3-5,9,12,16H,6-7H2,1-2H3
InChIKeyPPNYXFSLKWIVBG-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol
CID 103038984
2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol
CID 103039609
2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 107894346
1-(3-chloro-4-fluorophenyl)-4-methylpentan-2-ol
CID 103039007
1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957
[2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethyl]hydrazine
CID 107195040
4-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-1,2-difluorobenzene
CID 107003154
1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol
CID 103039553
2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622580
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 103039723
2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 103039582

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol (CID 107005515) is 2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol is CC1(C)CC1C(O)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol?
The InChIKey is PPNYXFSLKWIVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO/c1-13(2)7-9(13)12(16)6-8-3-4-11(15)10(14)5-8/h3-5,9,12,16H,6-7H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol?
2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol has a molecular weight of 242.72 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol is sourced from PubChem (CID 107005515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).