[(1R,2S)-2-fluoro-2-methyl-1-phenylcyclobutyl]methanol

C12H15FO — CID 14002008

IUPAC[(1R,2S)-2-fluoro-2-methyl-1-phenylcyclobutyl]methanol
SMILESC[C@]1(F)CC[C@]1(CO)c1ccccc1
InChIInChI=1S/C12H15FO/c1-11(13)7-8-12(11,9-14)10-5-3-2-4-6-10/h2-6,14H,7-9H2,1H3/t11-,12-/m0/s1
InChIKeyIHNOWDARULRVQF-RYUDHWBXSA-N
MW194.25 g/mol
LogP2.44
Rot. Bonds2

About [(1R,2S)-2-fluoro-2-methyl-1-phenylcyclobutyl]methanol

[(1R,2S)-2-fluoro-2-methyl-1-phenylcyclobutyl]methanol (PubChem CID 14002008) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is [(1R,2S)-2-fluoro-2-methyl-1-phenylcyclobutyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-fluoro-2-methyl-1-phenylcyclobutyl]methanol
PubChem CID14002008
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name[(1R,2S)-2-fluoro-2-methyl-1-phenylcyclobutyl]methanol
SMILESC[C@]1(F)CC[C@]1(CO)c1ccccc1
InChIInChI=1S/C12H15FO/c1-11(13)7-8-12(11,9-14)10-5-3-2-4-6-10/h2-6,14H,7-9H2,1H3/t11-,12-/m0/s1
InChIKeyIHNOWDARULRVQF-RYUDHWBXSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;methanol;(1-phenylcyclohexyl)benzene
CID 91580542
[(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol
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1,1-diphenylcyclotetradecane
CID 175822005
(2-bromo-2-fluoro-1,3,3-trimethylcyclopropyl)benzene
CID 134986145
1-amino-4,4-diphenylcyclohexane-1-carboxylic acid;1-methyl-4,4-diphenylcyclohexane-1-carboxylic acid
CID 158239833
N-ethyl-3-(1-phenylcyclopropyl)-1,2,4-thiadiazol-5-amine
CID 65268520
[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanol
CID 15781967
3-fluoro-1-methyl-3-phenylazetidine
CID 126996744
CID 174029877
CID 174029877
ethane;1-phenylcyclohexan-1-ol
CID 144640846
trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
CID 15915235
(1-fluorocyclopentyl)benzene
CID 67593041

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-fluoro-2-methyl-1-phenylcyclobutyl]methanol?
The IUPAC name of [(1R,2S)-2-fluoro-2-methyl-1-phenylcyclobutyl]methanol (CID 14002008) is [(1R,2S)-2-fluoro-2-methyl-1-phenylcyclobutyl]methanol.
What is the SMILES notation for [(1R,2S)-2-fluoro-2-methyl-1-phenylcyclobutyl]methanol?
The canonical SMILES for [(1R,2S)-2-fluoro-2-methyl-1-phenylcyclobutyl]methanol is C[C@]1(F)CC[C@]1(CO)c1ccccc1.
What is the InChIKey of [(1R,2S)-2-fluoro-2-methyl-1-phenylcyclobutyl]methanol?
The InChIKey is IHNOWDARULRVQF-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H15FO/c1-11(13)7-8-12(11,9-14)10-5-3-2-4-6-10/h2-6,14H,7-9H2,1H3/t11-,12-/m0/s1.
What are the key properties of [(1R,2S)-2-fluoro-2-methyl-1-phenylcyclobutyl]methanol?
[(1R,2S)-2-fluoro-2-methyl-1-phenylcyclobutyl]methanol has a molecular weight of 194.25 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-fluoro-2-methyl-1-phenylcyclobutyl]methanol is sourced from PubChem (CID 14002008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).