6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C16H19F3O2 — CID 114715200

IUPAC6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCc1ccc2c(c1)C(O)CC1(CCCC(C(F)(F)F)C1)O2
InChIInChI=1S/C16H19F3O2/c1-10-4-5-14-12(7-10)13(20)9-15(21-14)6-2-3-11(8-15)16(17,18)19/h4-5,7,11,13,20H,2-3,6,8-9H2,1H3
InChIKeyVNSVNLYEWUDGRV-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.30
Rot. Bonds

About 6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 114715200) has the molecular formula C16H19F3O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID114715200
Molecular FormulaC16H19F3O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCc1ccc2c(c1)C(O)CC1(CCCC(C(F)(F)F)C1)O2
InChIInChI=1S/C16H19F3O2/c1-10-4-5-14-12(7-10)13(20)9-15(21-14)6-2-3-11(8-15)16(17,18)19/h4-5,7,11,13,20H,2-3,6,8-9H2,1H3
InChIKeyVNSVNLYEWUDGRV-UHFFFAOYSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of 6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 114715200) is 6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for 6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for 6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is Cc1ccc2c(c1)C(O)CC1(CCCC(C(F)(F)F)C1)O2.
What is the InChIKey of 6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is VNSVNLYEWUDGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3O2/c1-10-4-5-14-12(7-10)13(20)9-15(21-14)6-2-3-11(8-15)16(17,18)19/h4-5,7,11,13,20H,2-3,6,8-9H2,1H3.
What are the key properties of 6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 300.32 g/mol, XLogP of 4.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 114715200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).