(1S)-4-(fluoromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol

C10H13FO — CID 56606889

IUPAC(1S)-4-(fluoromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1=C(C)[C@@H](O)CC1=CF
InChIInChI=1S/C10H13FO/c1-3-4-9-7(2)10(12)5-8(9)6-11/h3,6,10,12H,1,4-5H2,2H3/t10-/m0/s1
InChIKeyDGUQYQIYKWFWLR-JTQLQIEISA-N
MW168.21 g/mol
LogP2.50
Rot. Bonds2

About (1S)-4-(fluoromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol

(1S)-4-(fluoromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol (PubChem CID 56606889) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is (1S)-4-(fluoromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S)-4-(fluoromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol
PubChem CID56606889
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name(1S)-4-(fluoromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1=C(C)[C@@H](O)CC1=CF
InChIInChI=1S/C10H13FO/c1-3-4-9-7(2)10(12)5-8(9)6-11/h3,6,10,12H,1,4-5H2,2H3/t10-/m0/s1
InChIKeyDGUQYQIYKWFWLR-JTQLQIEISA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-(fluoromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol?
The IUPAC name of (1S)-4-(fluoromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol (CID 56606889) is (1S)-4-(fluoromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol.
What is the SMILES notation for (1S)-4-(fluoromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol?
The canonical SMILES for (1S)-4-(fluoromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol is C=CCC1=C(C)[C@@H](O)CC1=CF.
What is the InChIKey of (1S)-4-(fluoromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol?
The InChIKey is DGUQYQIYKWFWLR-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13FO/c1-3-4-9-7(2)10(12)5-8(9)6-11/h3,6,10,12H,1,4-5H2,2H3/t10-/m0/s1.
What are the key properties of (1S)-4-(fluoromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol?
(1S)-4-(fluoromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol has a molecular weight of 168.21 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-(fluoromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol is sourced from PubChem (CID 56606889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).