(1S)-3-(2-fluoroethyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol

C9H13FO — CID 54273271

IUPAC(1S)-3-(2-fluoroethyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol
SMILESC=C1C[C@H](O)C(C)=C1CCF
InChIInChI=1S/C9H13FO/c1-6-5-9(11)7(2)8(6)3-4-10/h9,11H,1,3-5H2,2H3/t9-/m0/s1
InChIKeyRLQUGUIGBKVGGZ-VIFPVBQESA-N
MW156.20 g/mol
LogP1.98
Rot. Bonds2

About (1S)-3-(2-fluoroethyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol

(1S)-3-(2-fluoroethyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol (PubChem CID 54273271) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is (1S)-3-(2-fluoroethyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S)-3-(2-fluoroethyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol
PubChem CID54273271
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name(1S)-3-(2-fluoroethyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol
SMILESC=C1C[C@H](O)C(C)=C1CCF
InChIInChI=1S/C9H13FO/c1-6-5-9(11)7(2)8(6)3-4-10/h9,11H,1,3-5H2,2H3/t9-/m0/s1
InChIKeyRLQUGUIGBKVGGZ-VIFPVBQESA-N
XLogP1.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-3-(2-fluoroethyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol?
The IUPAC name of (1S)-3-(2-fluoroethyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol (CID 54273271) is (1S)-3-(2-fluoroethyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol.
What is the SMILES notation for (1S)-3-(2-fluoroethyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol?
The canonical SMILES for (1S)-3-(2-fluoroethyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol is C=C1C[C@H](O)C(C)=C1CCF.
What is the InChIKey of (1S)-3-(2-fluoroethyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol?
The InChIKey is RLQUGUIGBKVGGZ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13FO/c1-6-5-9(11)7(2)8(6)3-4-10/h9,11H,1,3-5H2,2H3/t9-/m0/s1.
What are the key properties of (1S)-3-(2-fluoroethyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol?
(1S)-3-(2-fluoroethyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol has a molecular weight of 156.20 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-(2-fluoroethyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol is sourced from PubChem (CID 54273271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).