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

C10H15FO — CID 54130133

IUPAC(1S)-3-(3-fluoropropyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol
SMILESC=C1C[C@H](O)C(C)=C1CCCF
InChIInChI=1S/C10H15FO/c1-7-6-10(12)8(2)9(7)4-3-5-11/h10,12H,1,3-6H2,2H3/t10-/m0/s1
InChIKeyNTTKOSWGFXJTEC-JTQLQIEISA-N
MW170.23 g/mol
LogP2.37
Rot. Bonds3

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

(1S)-3-(3-fluoropropyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol (PubChem CID 54130133) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is (1S)-3-(3-fluoropropyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S)-3-(3-fluoropropyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol
PubChem CID54130133
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name(1S)-3-(3-fluoropropyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol
SMILESC=C1C[C@H](O)C(C)=C1CCCF
InChIInChI=1S/C10H15FO/c1-7-6-10(12)8(2)9(7)4-3-5-11/h10,12H,1,3-6H2,2H3/t10-/m0/s1
InChIKeyNTTKOSWGFXJTEC-JTQLQIEISA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-3-(3-fluoropropyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol?
The IUPAC name of (1S)-3-(3-fluoropropyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol (CID 54130133) is (1S)-3-(3-fluoropropyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol.
What is the SMILES notation for (1S)-3-(3-fluoropropyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol?
The canonical SMILES for (1S)-3-(3-fluoropropyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol is C=C1C[C@H](O)C(C)=C1CCCF.
What is the InChIKey of (1S)-3-(3-fluoropropyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol?
The InChIKey is NTTKOSWGFXJTEC-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15FO/c1-7-6-10(12)8(2)9(7)4-3-5-11/h10,12H,1,3-6H2,2H3/t10-/m0/s1.
What are the key properties of (1S)-3-(3-fluoropropyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol?
(1S)-3-(3-fluoropropyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol has a molecular weight of 170.23 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-(3-fluoropropyl)-2-methyl-4-methylidenecyclopent-2-en-1-ol is sourced from PubChem (CID 54130133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).