(S)-(3-fluorophenyl)-[(6S)-spiro[2.4]heptan-6-yl]methanol

C14H17FO — CID 165040005

IUPAC(S)-(3-fluorophenyl)-[(6S)-spiro[2.4]heptan-6-yl]methanol
SMILESO[C@H](c1cccc(F)c1)[C@H]1CCC2(CC2)C1
InChIInChI=1S/C14H17FO/c15-12-3-1-2-10(8-12)13(16)11-4-5-14(9-11)6-7-14/h1-3,8,11,13,16H,4-7,9H2/t11-,13+/m0/s1
InChIKeyNYWGICVDVAGGLU-WCQYABFASA-N
MW220.29 g/mol
LogP3.44
Rot. Bonds2

About (S)-(3-fluorophenyl)-[(6S)-spiro[2.4]heptan-6-yl]methanol

(S)-(3-fluorophenyl)-[(6S)-spiro[2.4]heptan-6-yl]methanol (PubChem CID 165040005) has the molecular formula C14H17FO and a molecular weight of 220.29 g/mol. Its IUPAC name is (S)-(3-fluorophenyl)-[(6S)-spiro[2.4]heptan-6-yl]methanol.

Molecular Properties

Compound Name(S)-(3-fluorophenyl)-[(6S)-spiro[2.4]heptan-6-yl]methanol
PubChem CID165040005
Molecular FormulaC14H17FO
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name(S)-(3-fluorophenyl)-[(6S)-spiro[2.4]heptan-6-yl]methanol
SMILESO[C@H](c1cccc(F)c1)[C@H]1CCC2(CC2)C1
InChIInChI=1S/C14H17FO/c15-12-3-1-2-10(8-12)13(16)11-4-5-14(9-11)6-7-14/h1-3,8,11,13,16H,4-7,9H2/t11-,13+/m0/s1
InChIKeyNYWGICVDVAGGLU-WCQYABFASA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol
CID 107191966
(4-butylcyclohexyl)-(3-fluorophenyl)methanol
CID 114978561
(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol
CID 155134327
(1-tert-butylpiperidin-3-yl)-(3-fluorophenyl)methanol
CID 68900380
(S)-(3-fluorophenyl)-[(3S)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol;hydrochloride
CID 163219241
2-(1-adamantyl)-1-(3-fluorophenyl)ethanol
CID 114978539
(R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride
CID 155126943
(S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol
CID 155127031
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol
CID 79137949
ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 142546484
1,4-dioxaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)phenyl]methanol
CID 19436901
(R)-cyclobutyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199154

Frequently Asked Questions

What is the IUPAC name of (S)-(3-fluorophenyl)-[(6S)-spiro[2.4]heptan-6-yl]methanol?
The IUPAC name of (S)-(3-fluorophenyl)-[(6S)-spiro[2.4]heptan-6-yl]methanol (CID 165040005) is (S)-(3-fluorophenyl)-[(6S)-spiro[2.4]heptan-6-yl]methanol.
What is the SMILES notation for (S)-(3-fluorophenyl)-[(6S)-spiro[2.4]heptan-6-yl]methanol?
The canonical SMILES for (S)-(3-fluorophenyl)-[(6S)-spiro[2.4]heptan-6-yl]methanol is O[C@H](c1cccc(F)c1)[C@H]1CCC2(CC2)C1.
What is the InChIKey of (S)-(3-fluorophenyl)-[(6S)-spiro[2.4]heptan-6-yl]methanol?
The InChIKey is NYWGICVDVAGGLU-WCQYABFASA-N. The full InChI is InChI=1S/C14H17FO/c15-12-3-1-2-10(8-12)13(16)11-4-5-14(9-11)6-7-14/h1-3,8,11,13,16H,4-7,9H2/t11-,13+/m0/s1.
What are the key properties of (S)-(3-fluorophenyl)-[(6S)-spiro[2.4]heptan-6-yl]methanol?
(S)-(3-fluorophenyl)-[(6S)-spiro[2.4]heptan-6-yl]methanol has a molecular weight of 220.29 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-fluorophenyl)-[(6S)-spiro[2.4]heptan-6-yl]methanol is sourced from PubChem (CID 165040005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).