(4S)-4-fluoro-1-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentane

C11H19FO — CID 131997504

IUPAC(4S)-4-fluoro-1-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
SMILESC=C1C[C@@H](F)CC1COC(C)(C)C
InChIInChI=1S/C11H19FO/c1-8-5-10(12)6-9(8)7-13-11(2,3)4/h9-10H,1,5-7H2,2-4H3/t9?,10-/m1/s1
InChIKeyJTHOWQHZVYBXQA-QVDQXJPCSA-N
MW186.27 g/mol
LogP3.11
Rot. Bonds2

About (4S)-4-fluoro-1-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentane

(4S)-4-fluoro-1-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentane (PubChem CID 131997504) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is (4S)-4-fluoro-1-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentane.

Molecular Properties

Compound Name(4S)-4-fluoro-1-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
PubChem CID131997504
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Name(4S)-4-fluoro-1-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
SMILESC=C1C[C@@H](F)CC1COC(C)(C)C
InChIInChI=1S/C11H19FO/c1-8-5-10(12)6-9(8)7-13-11(2,3)4/h9-10H,1,5-7H2,2-4H3/t9?,10-/m1/s1
InChIKeyJTHOWQHZVYBXQA-QVDQXJPCSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
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 (4S)-4-fluoro-1-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentane?
The IUPAC name of (4S)-4-fluoro-1-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentane (CID 131997504) is (4S)-4-fluoro-1-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentane.
What is the SMILES notation for (4S)-4-fluoro-1-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentane?
The canonical SMILES for (4S)-4-fluoro-1-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentane is C=C1C[C@@H](F)CC1COC(C)(C)C.
What is the InChIKey of (4S)-4-fluoro-1-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentane?
The InChIKey is JTHOWQHZVYBXQA-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H19FO/c1-8-5-10(12)6-9(8)7-13-11(2,3)4/h9-10H,1,5-7H2,2-4H3/t9?,10-/m1/s1.
What are the key properties of (4S)-4-fluoro-1-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentane?
(4S)-4-fluoro-1-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentane has a molecular weight of 186.27 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-fluoro-1-methylidene-2-[(2-methylpropan-2-yl)oxymethyl]cyclopentane is sourced from PubChem (CID 131997504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).