trans-(1R,4S)-1-butyl-4-fluoro-2-methylidene-1-propan-2-ylcyclopentane

C13H23F — CID 162730733

IUPACtrans-(1R,4S)-1-butyl-4-fluoro-2-methylidene-1-propan-2-ylcyclopentane
SMILESC=C1C[C@H](F)C[C@]1(CCCC)C(C)C
InChIInChI=1S/C13H23F/c1-5-6-7-13(10(2)3)9-12(14)8-11(13)4/h10,12H,4-9H2,1-3H3/t12-,13+/m0/s1
InChIKeyRLJSFUJEYDYJNY-QWHCGFSZSA-N
MW198.32 g/mol
LogP4.51
Rot. Bonds4

About trans-(1R,4S)-1-butyl-4-fluoro-2-methylidene-1-propan-2-ylcyclopentane

trans-(1R,4S)-1-butyl-4-fluoro-2-methylidene-1-propan-2-ylcyclopentane (PubChem CID 162730733) has the molecular formula C13H23F and a molecular weight of 198.32 g/mol. Its IUPAC name is trans-(1R,4S)-1-butyl-4-fluoro-2-methylidene-1-propan-2-ylcyclopentane.

Molecular Properties

Compound Nametrans-(1R,4S)-1-butyl-4-fluoro-2-methylidene-1-propan-2-ylcyclopentane
PubChem CID162730733
Molecular FormulaC13H23F
Molecular Weight198.32 g/mol
Exact Mass198.18
IUPAC Nametrans-(1R,4S)-1-butyl-4-fluoro-2-methylidene-1-propan-2-ylcyclopentane
SMILESC=C1C[C@H](F)C[C@]1(CCCC)C(C)C
InChIInChI=1S/C13H23F/c1-5-6-7-13(10(2)3)9-12(14)8-11(13)4/h10,12H,4-9H2,1-3H3/t12-,13+/m0/s1
InChIKeyRLJSFUJEYDYJNY-QWHCGFSZSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 trans-(1R,4S)-1-butyl-4-fluoro-2-methylidene-1-propan-2-ylcyclopentane?
The IUPAC name of trans-(1R,4S)-1-butyl-4-fluoro-2-methylidene-1-propan-2-ylcyclopentane (CID 162730733) is trans-(1R,4S)-1-butyl-4-fluoro-2-methylidene-1-propan-2-ylcyclopentane.
What is the SMILES notation for trans-(1R,4S)-1-butyl-4-fluoro-2-methylidene-1-propan-2-ylcyclopentane?
The canonical SMILES for trans-(1R,4S)-1-butyl-4-fluoro-2-methylidene-1-propan-2-ylcyclopentane is C=C1C[C@H](F)C[C@]1(CCCC)C(C)C.
What is the InChIKey of trans-(1R,4S)-1-butyl-4-fluoro-2-methylidene-1-propan-2-ylcyclopentane?
The InChIKey is RLJSFUJEYDYJNY-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H23F/c1-5-6-7-13(10(2)3)9-12(14)8-11(13)4/h10,12H,4-9H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of trans-(1R,4S)-1-butyl-4-fluoro-2-methylidene-1-propan-2-ylcyclopentane?
trans-(1R,4S)-1-butyl-4-fluoro-2-methylidene-1-propan-2-ylcyclopentane has a molecular weight of 198.32 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,4S)-1-butyl-4-fluoro-2-methylidene-1-propan-2-ylcyclopentane is sourced from PubChem (CID 162730733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).