2-(4-cyclopropyl-2-fluorophenyl)ethane-1,1-diol

C11H13FO2 — CID 129135375

IUPAC2-(4-cyclopropyl-2-fluorophenyl)ethane-1,1-diol
SMILESOC(O)Cc1ccc(C2CC2)cc1F
InChIInChI=1S/C11H13FO2/c12-10-5-8(7-1-2-7)3-4-9(10)6-11(13)14/h3-5,7,11,13-14H,1-2,6H2
InChIKeyTURJAFVIOSHPHE-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.56
Rot. Bonds3

About 2-(4-cyclopropyl-2-fluorophenyl)ethane-1,1-diol

2-(4-cyclopropyl-2-fluorophenyl)ethane-1,1-diol (PubChem CID 129135375) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-(4-cyclopropyl-2-fluorophenyl)ethane-1,1-diol.

Molecular Properties

Compound Name2-(4-cyclopropyl-2-fluorophenyl)ethane-1,1-diol
PubChem CID129135375
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name2-(4-cyclopropyl-2-fluorophenyl)ethane-1,1-diol
SMILESOC(O)Cc1ccc(C2CC2)cc1F
InChIInChI=1S/C11H13FO2/c12-10-5-8(7-1-2-7)3-4-9(10)6-11(13)14/h3-5,7,11,13-14H,1-2,6H2
InChIKeyTURJAFVIOSHPHE-UHFFFAOYSA-N
XLogP1.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine
CID 62490162
4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane
CID 168922268
2-[2-(4-cyclopropyl-2-fluorophenyl)ethyl]guanidine
CID 118466314
1-(4-cyclopropylphenyl)-2-(2,5-difluorophenyl)ethanol
CID 79980804
(5-cyclopropyl-2-fluorophenyl)methanamine
CID 62490322
4-cyclopropyl-1,2-difluorobenzene;formic acid
CID 144529056
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
CID 177038852
2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79980726
4-cyclohexyl-2-fluoro-1-pentylbenzene
CID 59931429
1-[2-(4-butylcyclohexyl)ethyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 151118994
4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene
CID 88993446

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-2-fluorophenyl)ethane-1,1-diol?
The IUPAC name of 2-(4-cyclopropyl-2-fluorophenyl)ethane-1,1-diol (CID 129135375) is 2-(4-cyclopropyl-2-fluorophenyl)ethane-1,1-diol.
What is the SMILES notation for 2-(4-cyclopropyl-2-fluorophenyl)ethane-1,1-diol?
The canonical SMILES for 2-(4-cyclopropyl-2-fluorophenyl)ethane-1,1-diol is OC(O)Cc1ccc(C2CC2)cc1F.
What is the InChIKey of 2-(4-cyclopropyl-2-fluorophenyl)ethane-1,1-diol?
The InChIKey is TURJAFVIOSHPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c12-10-5-8(7-1-2-7)3-4-9(10)6-11(13)14/h3-5,7,11,13-14H,1-2,6H2.
What are the key properties of 2-(4-cyclopropyl-2-fluorophenyl)ethane-1,1-diol?
2-(4-cyclopropyl-2-fluorophenyl)ethane-1,1-diol has a molecular weight of 196.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-2-fluorophenyl)ethane-1,1-diol is sourced from PubChem (CID 129135375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).