(4S,4aR,7R,8aR)-4-fluoro-4,7-dimethylspiro[4a,5,6,7,8,8a-hexahydro-3H-chromene-2,1'-cyclopentane]

C15H25FO — CID 154574018

IUPAC(4S,4aR,7R,8aR)-4-fluoro-4,7-dimethylspiro[4a,5,6,7,8,8a-hexahydro-3H-chromene-2,1'-cyclopentane]
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)OC1(CCCC1)C[C@]2(C)F
InChIInChI=1S/C15H25FO/c1-11-5-6-12-13(9-11)17-15(7-3-4-8-15)10-14(12,2)16/h11-13H,3-10H2,1-2H3/t11-,12-,13-,14+/m1/s1
InChIKeyRREJMFRPBUMRFP-SYQHCUMBSA-N
MW240.36 g/mol
LogP4.25
Rot. Bonds

About (4S,4aR,7R,8aR)-4-fluoro-4,7-dimethylspiro[4a,5,6,7,8,8a-hexahydro-3H-chromene-2,1'-cyclopentane]

(4S,4aR,7R,8aR)-4-fluoro-4,7-dimethylspiro[4a,5,6,7,8,8a-hexahydro-3H-chromene-2,1'-cyclopentane] (PubChem CID 154574018) has the molecular formula C15H25FO and a molecular weight of 240.36 g/mol. Its IUPAC name is (4S,4aR,7R,8aR)-4-fluoro-4,7-dimethylspiro[4a,5,6,7,8,8a-hexahydro-3H-chromene-2,1'-cyclopentane].

Molecular Properties

Compound Name(4S,4aR,7R,8aR)-4-fluoro-4,7-dimethylspiro[4a,5,6,7,8,8a-hexahydro-3H-chromene-2,1'-cyclopentane]
PubChem CID154574018
Molecular FormulaC15H25FO
Molecular Weight240.36 g/mol
Exact Mass240.19
IUPAC Name(4S,4aR,7R,8aR)-4-fluoro-4,7-dimethylspiro[4a,5,6,7,8,8a-hexahydro-3H-chromene-2,1'-cyclopentane]
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)OC1(CCCC1)C[C@]2(C)F
InChIInChI=1S/C15H25FO/c1-11-5-6-12-13(9-11)17-15(7-3-4-8-15)10-14(12,2)16/h11-13H,3-10H2,1-2H3/t11-,12-,13-,14+/m1/s1
InChIKeyRREJMFRPBUMRFP-SYQHCUMBSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4S,4aR,7R,8aR)-4-fluoro-4,7-dimethylspiro[4a,5,6,7,8,8a-hexahydro-3H-chromene-2,1'-cyclopentane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,4aR,7R,8aR)-4-fluoro-4,7-dimethylspiro[4a,5,6,7,8,8a-hexahydro-3H-chromene-2,1'-cyclopentane]?
The IUPAC name of (4S,4aR,7R,8aR)-4-fluoro-4,7-dimethylspiro[4a,5,6,7,8,8a-hexahydro-3H-chromene-2,1'-cyclopentane] (CID 154574018) is (4S,4aR,7R,8aR)-4-fluoro-4,7-dimethylspiro[4a,5,6,7,8,8a-hexahydro-3H-chromene-2,1'-cyclopentane].
What is the SMILES notation for (4S,4aR,7R,8aR)-4-fluoro-4,7-dimethylspiro[4a,5,6,7,8,8a-hexahydro-3H-chromene-2,1'-cyclopentane]?
The canonical SMILES for (4S,4aR,7R,8aR)-4-fluoro-4,7-dimethylspiro[4a,5,6,7,8,8a-hexahydro-3H-chromene-2,1'-cyclopentane] is C[C@@H]1CC[C@@H]2[C@@H](C1)OC1(CCCC1)C[C@]2(C)F.
What is the InChIKey of (4S,4aR,7R,8aR)-4-fluoro-4,7-dimethylspiro[4a,5,6,7,8,8a-hexahydro-3H-chromene-2,1'-cyclopentane]?
The InChIKey is RREJMFRPBUMRFP-SYQHCUMBSA-N. The full InChI is InChI=1S/C15H25FO/c1-11-5-6-12-13(9-11)17-15(7-3-4-8-15)10-14(12,2)16/h11-13H,3-10H2,1-2H3/t11-,12-,13-,14+/m1/s1.
What are the key properties of (4S,4aR,7R,8aR)-4-fluoro-4,7-dimethylspiro[4a,5,6,7,8,8a-hexahydro-3H-chromene-2,1'-cyclopentane]?
(4S,4aR,7R,8aR)-4-fluoro-4,7-dimethylspiro[4a,5,6,7,8,8a-hexahydro-3H-chromene-2,1'-cyclopentane] has a molecular weight of 240.36 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4aR,7R,8aR)-4-fluoro-4,7-dimethylspiro[4a,5,6,7,8,8a-hexahydro-3H-chromene-2,1'-cyclopentane] is sourced from PubChem (CID 154574018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).