(1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol

C12H15FO2 — CID 67957108

IUPAC(1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol
SMILESO[C@H]1C[C@@H](OCc2ccccc2)C[C@@H]1F
InChIInChI=1S/C12H15FO2/c13-11-6-10(7-12(11)14)15-8-9-4-2-1-3-5-9/h1-5,10-12,14H,6-8H2/t10-,11-,12-/m0/s1
InChIKeyCKGHCFMFALBCHK-SRVKXCTJSA-N
MW210.25 g/mol
LogP2.06
Rot. Bonds3

About (1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol

(1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol (PubChem CID 67957108) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is (1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol
PubChem CID67957108
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name(1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol
SMILESO[C@H]1C[C@@H](OCc2ccccc2)C[C@@H]1F
InChIInChI=1S/C12H15FO2/c13-11-6-10(7-12(11)14)15-8-9-4-2-1-3-5-9/h1-5,10-12,14H,6-8H2/t10-,11-,12-/m0/s1
InChIKeyCKGHCFMFALBCHK-SRVKXCTJSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-bis(phenylmethoxy)cyclopentan-1-ol
CID 57200651
(1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 91005929
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
(2-fluoro-4-phenylmethoxycyclopentyl) methanesulfonate
CID 88531397
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
CID 14172790
3-phenylmethoxycyclobutane-1-carboxamide
CID 121012391
(1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol
CID 14666183
(1R,3R,5R,6S)-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol
CID 122403458
3-phenylmethoxycyclopentan-1-amine
CID 79421215
(1S,3S,5R,6R)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine
CID 154874589

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol?
The IUPAC name of (1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol (CID 67957108) is (1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol.
What is the SMILES notation for (1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol?
The canonical SMILES for (1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol is O[C@H]1C[C@@H](OCc2ccccc2)C[C@@H]1F.
What is the InChIKey of (1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol?
The InChIKey is CKGHCFMFALBCHK-SRVKXCTJSA-N. The full InChI is InChI=1S/C12H15FO2/c13-11-6-10(7-12(11)14)15-8-9-4-2-1-3-5-9/h1-5,10-12,14H,6-8H2/t10-,11-,12-/m0/s1.
What are the key properties of (1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol?
(1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol has a molecular weight of 210.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol is sourced from PubChem (CID 67957108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).