(1'S,8'R)-3'-fluorospiro[oxirane-2,9'-tricyclo[4.3.1.13,8]undecane]

C12H17FO — CID 10821727

IUPAC(1'S,8'R)-3'-fluorospiro[oxirane-2,9'-tricyclo[4.3.1.13,8]undecane]
SMILESFC12CCC3C[C@H](C1)C1(CO1)[C@@H](C3)C2
InChIInChI=1S/C12H17FO/c13-11-2-1-8-3-9(5-11)12(7-14-12)10(4-8)6-11/h8-10H,1-7H2/t8?,9-,10+,11?,12?
InChIKeyVUUTWLWWVBCTHY-KTMJHZKESA-N
MW196.26 g/mol
LogP2.69
Rot. Bonds

About (1'S,8'R)-3'-fluorospiro[oxirane-2,9'-tricyclo[4.3.1.13,8]undecane]

(1'S,8'R)-3'-fluorospiro[oxirane-2,9'-tricyclo[4.3.1.13,8]undecane] (PubChem CID 10821727) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is (1'S,8'R)-3'-fluorospiro[oxirane-2,9'-tricyclo[4.3.1.13,8]undecane].

Molecular Properties

Compound Name(1'S,8'R)-3'-fluorospiro[oxirane-2,9'-tricyclo[4.3.1.13,8]undecane]
PubChem CID10821727
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name(1'S,8'R)-3'-fluorospiro[oxirane-2,9'-tricyclo[4.3.1.13,8]undecane]
SMILESFC12CCC3C[C@H](C1)C1(CO1)[C@@H](C3)C2
InChIInChI=1S/C12H17FO/c13-11-2-1-8-3-9(5-11)12(7-14-12)10(4-8)6-11/h8-10H,1-7H2/t8?,9-,10+,11?,12?
InChIKeyVUUTWLWWVBCTHY-KTMJHZKESA-N
XLogP2.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1'S,8'R)-3'-fluorospiro[oxirane-2,9'-tricyclo[4.3.1.13,8]undecane] with MolForge

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Related Compounds

1'-fluorospiro[1,3-dioxolane-2,4'-adamantane]
CID 91619929
spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane]
CID 86249645
(2R)-2-methylbicyclo[3.1.1]heptan-2-amine
CID 55290522
CID 122189271
CID 122189271
spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane]
CID 22273219
[5-[(5,5,6,6-tetrafluorospiro[1,4-dioxepane-2,4'-adamantane]-1'-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 5,5,6,6-tetrafluorospiro[1,4-dioxepane-2,4'-adamantane]-1'-carboxylate
CID 170178827
(1R,3S,5S)-1-fluorobicyclo[3.3.1]nonan-3-ol
CID 131065383
CID 163803280
CID 163803280
spiro[bicyclo[2.2.1]heptane-2,2'-oxolane]
CID 165155234
(2S)-2-aminobicyclo[3.1.1]heptane-2-carbonitrile
CID 55285576
2,2-difluorooxirane
CID 19829575
1-fluorobicyclo[2.2.0]hexane
CID 91806231

Frequently Asked Questions

What is the IUPAC name of (1'S,8'R)-3'-fluorospiro[oxirane-2,9'-tricyclo[4.3.1.13,8]undecane]?
The IUPAC name of (1'S,8'R)-3'-fluorospiro[oxirane-2,9'-tricyclo[4.3.1.13,8]undecane] (CID 10821727) is (1'S,8'R)-3'-fluorospiro[oxirane-2,9'-tricyclo[4.3.1.13,8]undecane].
What is the SMILES notation for (1'S,8'R)-3'-fluorospiro[oxirane-2,9'-tricyclo[4.3.1.13,8]undecane]?
The canonical SMILES for (1'S,8'R)-3'-fluorospiro[oxirane-2,9'-tricyclo[4.3.1.13,8]undecane] is FC12CCC3C[C@H](C1)C1(CO1)[C@@H](C3)C2.
What is the InChIKey of (1'S,8'R)-3'-fluorospiro[oxirane-2,9'-tricyclo[4.3.1.13,8]undecane]?
The InChIKey is VUUTWLWWVBCTHY-KTMJHZKESA-N. The full InChI is InChI=1S/C12H17FO/c13-11-2-1-8-3-9(5-11)12(7-14-12)10(4-8)6-11/h8-10H,1-7H2/t8?,9-,10+,11?,12?.
What are the key properties of (1'S,8'R)-3'-fluorospiro[oxirane-2,9'-tricyclo[4.3.1.13,8]undecane]?
(1'S,8'R)-3'-fluorospiro[oxirane-2,9'-tricyclo[4.3.1.13,8]undecane] has a molecular weight of 196.26 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,8'R)-3'-fluorospiro[oxirane-2,9'-tricyclo[4.3.1.13,8]undecane] is sourced from PubChem (CID 10821727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).