(4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C15H16F4O2 — CID 104951727

IUPAC(4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESO[C@@H]1CC2(CCC(C(F)(F)F)CC2)Oc2cc(F)ccc21
InChIInChI=1S/C15H16F4O2/c16-10-1-2-11-12(20)8-14(21-13(11)7-10)5-3-9(4-6-14)15(17,18)19/h1-2,7,9,12,20H,3-6,8H2/t9?,12-,14?/m1/s1
InChIKeyQRRGMCZSELXKMS-VTGPFMDVSA-N
MW304.28 g/mol
LogP4.13
Rot. Bonds

About (4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

(4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 104951727) has the molecular formula C15H16F4O2 and a molecular weight of 304.28 g/mol. Its IUPAC name is (4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name(4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID104951727
Molecular FormulaC15H16F4O2
Molecular Weight304.28 g/mol
Exact Mass304.11
IUPAC Name(4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESO[C@@H]1CC2(CCC(C(F)(F)F)CC2)Oc2cc(F)ccc21
InChIInChI=1S/C15H16F4O2/c16-10-1-2-11-12(20)8-14(21-13(11)7-10)5-3-9(4-6-14)15(17,18)19/h1-2,7,9,12,20H,3-6,8H2/t9?,12-,14?/m1/s1
InChIKeyQRRGMCZSELXKMS-VTGPFMDVSA-N
XLogP4.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol with MolForge

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Related Compounds

(4R)-6-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948425
(4S)-6-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948203
7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714791
7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 112549056
4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715684
(4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104951801
(4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951789
(4R)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol
CID 104951617
(4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951278
(4S)-7-fluorospiro[3,4-dihydrochromene-2,3'-oxane]-4-ol
CID 104951816
(4S)-6-fluoro-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948172
(4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol
CID 104951762

Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of (4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 104951727) is (4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for (4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for (4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is O[C@@H]1CC2(CCC(C(F)(F)F)CC2)Oc2cc(F)ccc21.
What is the InChIKey of (4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is QRRGMCZSELXKMS-VTGPFMDVSA-N. The full InChI is InChI=1S/C15H16F4O2/c16-10-1-2-11-12(20)8-14(21-13(11)7-10)5-3-9(4-6-14)15(17,18)19/h1-2,7,9,12,20H,3-6,8H2/t9?,12-,14?/m1/s1.
What are the key properties of (4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
(4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 304.28 g/mol, XLogP of 4.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 104951727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).