1-[(1R)-1,3-dimethyl-6-propan-2-ylcyclohex-2-en-1-yl]-2,3,5-trifluorobenzene

C17H21F3 — CID 169282371

IUPAC1-[(1R)-1,3-dimethyl-6-propan-2-ylcyclohex-2-en-1-yl]-2,3,5-trifluorobenzene
SMILESCC1=C[C@](C)(c2cc(F)cc(F)c2F)C(C(C)C)CC1
InChIInChI=1S/C17H21F3/c1-10(2)13-6-5-11(3)9-17(13,4)14-7-12(18)8-15(19)16(14)20/h7-10,13H,5-6H2,1-4H3/t13?,17-/m0/s1
InChIKeyGFNRYMMSZJCVJD-RUINGEJQSA-N
MW282.35 g/mol
LogP5.37
Rot. Bonds2

About 1-[(1R)-1,3-dimethyl-6-propan-2-ylcyclohex-2-en-1-yl]-2,3,5-trifluorobenzene

1-[(1R)-1,3-dimethyl-6-propan-2-ylcyclohex-2-en-1-yl]-2,3,5-trifluorobenzene (PubChem CID 169282371) has the molecular formula C17H21F3 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[(1R)-1,3-dimethyl-6-propan-2-ylcyclohex-2-en-1-yl]-2,3,5-trifluorobenzene.

Molecular Properties

Compound Name1-[(1R)-1,3-dimethyl-6-propan-2-ylcyclohex-2-en-1-yl]-2,3,5-trifluorobenzene
PubChem CID169282371
Molecular FormulaC17H21F3
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name1-[(1R)-1,3-dimethyl-6-propan-2-ylcyclohex-2-en-1-yl]-2,3,5-trifluorobenzene
SMILESCC1=C[C@](C)(c2cc(F)cc(F)c2F)C(C(C)C)CC1
InChIInChI=1S/C17H21F3/c1-10(2)13-6-5-11(3)9-17(13,4)14-7-12(18)8-15(19)16(14)20/h7-10,13H,5-6H2,1-4H3/t13?,17-/m0/s1
InChIKeyGFNRYMMSZJCVJD-RUINGEJQSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.35
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[(1R)-1,3-dimethyl-6-propan-2-ylcyclohex-2-en-1-yl]-1,2,3-trifluorobenzene
CID 169282325
8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962490
1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 63409045
1-(2,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 63409046
3-fluoro-3-(2,3,5-trifluorophenyl)azetidine
CID 130598143
2,2,3,3-tetrafluoro-4a,6-dimethyl-8,8a-dihydro-7H-1,4-benzodioxine
CID 162604526
1-(3,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 63407873
8,8-dioxo-3-(2,3,5-trifluorophenyl)-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171962498
3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride
CID 166608984
N-(1-cyclohexylethyl)-2,3,5-trifluoroaniline
CID 55193341
2-(2,3,5-trifluorophenyl)pyrrolidine
CID 77131470
2,4-difluoro-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene
CID 21025451

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1,3-dimethyl-6-propan-2-ylcyclohex-2-en-1-yl]-2,3,5-trifluorobenzene?
The IUPAC name of 1-[(1R)-1,3-dimethyl-6-propan-2-ylcyclohex-2-en-1-yl]-2,3,5-trifluorobenzene (CID 169282371) is 1-[(1R)-1,3-dimethyl-6-propan-2-ylcyclohex-2-en-1-yl]-2,3,5-trifluorobenzene.
What is the SMILES notation for 1-[(1R)-1,3-dimethyl-6-propan-2-ylcyclohex-2-en-1-yl]-2,3,5-trifluorobenzene?
The canonical SMILES for 1-[(1R)-1,3-dimethyl-6-propan-2-ylcyclohex-2-en-1-yl]-2,3,5-trifluorobenzene is CC1=C[C@](C)(c2cc(F)cc(F)c2F)C(C(C)C)CC1.
What is the InChIKey of 1-[(1R)-1,3-dimethyl-6-propan-2-ylcyclohex-2-en-1-yl]-2,3,5-trifluorobenzene?
The InChIKey is GFNRYMMSZJCVJD-RUINGEJQSA-N. The full InChI is InChI=1S/C17H21F3/c1-10(2)13-6-5-11(3)9-17(13,4)14-7-12(18)8-15(19)16(14)20/h7-10,13H,5-6H2,1-4H3/t13?,17-/m0/s1.
What are the key properties of 1-[(1R)-1,3-dimethyl-6-propan-2-ylcyclohex-2-en-1-yl]-2,3,5-trifluorobenzene?
1-[(1R)-1,3-dimethyl-6-propan-2-ylcyclohex-2-en-1-yl]-2,3,5-trifluorobenzene has a molecular weight of 282.35 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1,3-dimethyl-6-propan-2-ylcyclohex-2-en-1-yl]-2,3,5-trifluorobenzene is sourced from PubChem (CID 169282371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).