[2-(3-fluorophenyl)cyclobutyl]methanol

C11H13FO — CID 105438736

IUPAC[2-(3-fluorophenyl)cyclobutyl]methanol
SMILESOCC1CCC1c1cccc(F)c1
InChIInChI=1S/C11H13FO/c12-10-3-1-2-8(6-10)11-5-4-9(11)7-13/h1-3,6,9,11,13H,4-5,7H2
InChIKeyGSGFUXKFMVLCQF-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.31
Rot. Bonds2

About [2-(3-fluorophenyl)cyclobutyl]methanol

[2-(3-fluorophenyl)cyclobutyl]methanol (PubChem CID 105438736) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is [2-(3-fluorophenyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[2-(3-fluorophenyl)cyclobutyl]methanol
PubChem CID105438736
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name[2-(3-fluorophenyl)cyclobutyl]methanol
SMILESOCC1CCC1c1cccc(F)c1
InChIInChI=1S/C11H13FO/c12-10-3-1-2-8(6-10)11-5-4-9(11)7-13/h1-3,6,9,11,13H,4-5,7H2
InChIKeyGSGFUXKFMVLCQF-UHFFFAOYSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3-fluorophenyl)cyclopropyl]methanol
CID 53275735
[(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride
CID 122163804
[(1S,2S)-2-phenylcyclobutyl]methanol
CID 99991987
2-(3-fluorophenyl)cyclobutan-1-amine
CID 81014796
[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 131114074
cis-(1S,2S)-2-(3-fluorophenyl)cyclopentan-1-ol
CID 26594926
cis-(1R,2R)-2-(3-fluorophenyl)cyclopentan-1-ol
CID 26594918
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 68924561
4-(3-fluorophenyl)-3-(2-methylpropyl)piperidine
CID 79321584
2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol
CID 123741782
tert-butyl (4R)-3-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 154555062
(2R)-3-ethyl-2-[(3S,4R)-3-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]pentanoic acid
CID 20664083

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)cyclobutyl]methanol?
The IUPAC name of [2-(3-fluorophenyl)cyclobutyl]methanol (CID 105438736) is [2-(3-fluorophenyl)cyclobutyl]methanol.
What is the SMILES notation for [2-(3-fluorophenyl)cyclobutyl]methanol?
The canonical SMILES for [2-(3-fluorophenyl)cyclobutyl]methanol is OCC1CCC1c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)cyclobutyl]methanol?
The InChIKey is GSGFUXKFMVLCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c12-10-3-1-2-8(6-10)11-5-4-9(11)7-13/h1-3,6,9,11,13H,4-5,7H2.
What are the key properties of [2-(3-fluorophenyl)cyclobutyl]methanol?
[2-(3-fluorophenyl)cyclobutyl]methanol has a molecular weight of 180.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)cyclobutyl]methanol is sourced from PubChem (CID 105438736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).