(5S)-2,2-dimethyl-5-[(R)-naphthalen-2-yl-[4-(trifluoromethyl)phenyl]methyl]oxolane

C24H23F3O — CID 101497076

IUPAC(5S)-2,2-dimethyl-5-[(R)-naphthalen-2-yl-[4-(trifluoromethyl)phenyl]methyl]oxolane
SMILESCC1(C)CC[C@@H]([C@H](c2ccc(C(F)(F)F)cc2)c2ccc3ccccc3c2)O1
InChIInChI=1S/C24H23F3O/c1-23(2)14-13-21(28-23)22(17-9-11-20(12-10-17)24(25,26)27)19-8-7-16-5-3-4-6-18(16)15-19/h3-12,15,21-22H,13-14H2,1-2H3/t21-,22+/m0/s1
InChIKeyPKXPKCTWOUWRQH-FCHUYYIVSA-N
MW384.44 g/mol
LogP6.95
Rot. Bonds3

About (5S)-2,2-dimethyl-5-[(R)-naphthalen-2-yl-[4-(trifluoromethyl)phenyl]methyl]oxolane

(5S)-2,2-dimethyl-5-[(R)-naphthalen-2-yl-[4-(trifluoromethyl)phenyl]methyl]oxolane (PubChem CID 101497076) has the molecular formula C24H23F3O and a molecular weight of 384.44 g/mol. Its IUPAC name is (5S)-2,2-dimethyl-5-[(R)-naphthalen-2-yl-[4-(trifluoromethyl)phenyl]methyl]oxolane.

Molecular Properties

Compound Name(5S)-2,2-dimethyl-5-[(R)-naphthalen-2-yl-[4-(trifluoromethyl)phenyl]methyl]oxolane
PubChem CID101497076
Molecular FormulaC24H23F3O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name(5S)-2,2-dimethyl-5-[(R)-naphthalen-2-yl-[4-(trifluoromethyl)phenyl]methyl]oxolane
SMILESCC1(C)CC[C@@H]([C@H](c2ccc(C(F)(F)F)cc2)c2ccc3ccccc3c2)O1
InChIInChI=1S/C24H23F3O/c1-23(2)14-13-21(28-23)22(17-9-11-20(12-10-17)24(25,26)27)19-8-7-16-5-3-4-6-18(16)15-19/h3-12,15,21-22H,13-14H2,1-2H3/t21-,22+/m0/s1
InChIKeyPKXPKCTWOUWRQH-FCHUYYIVSA-N
XLogP6.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3856881
2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 171056262
2-[4-(trifluoromethyl)phenyl]naphthalene
CID 11448652
ethane;2-propan-2-ylnaphthalene
CID 142226111
(5S)-2,2-dimethyl-5-[(E,1S)-1-phenylbut-2-enyl]oxolane
CID 101378535
(2R,5R)-5-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-methyl-2-phenyloxolane
CID 101398623
4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 124514391
2-propan-2-ylpentacene
CID 153380535
(2-hydroxy-1,2-dinaphthalen-2-ylethyl)-dimethyl-[[4-(trifluoromethyl)phenyl]methyl]azanium chloride
CID 139950618
3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 80705463
(2,2-dimethylcyclohexyl)-naphthalen-2-ylmethanol
CID 107192209
1-naphthalen-2-ylethanamine
CID 3857145

Frequently Asked Questions

What is the IUPAC name of (5S)-2,2-dimethyl-5-[(R)-naphthalen-2-yl-[4-(trifluoromethyl)phenyl]methyl]oxolane?
The IUPAC name of (5S)-2,2-dimethyl-5-[(R)-naphthalen-2-yl-[4-(trifluoromethyl)phenyl]methyl]oxolane (CID 101497076) is (5S)-2,2-dimethyl-5-[(R)-naphthalen-2-yl-[4-(trifluoromethyl)phenyl]methyl]oxolane.
What is the SMILES notation for (5S)-2,2-dimethyl-5-[(R)-naphthalen-2-yl-[4-(trifluoromethyl)phenyl]methyl]oxolane?
The canonical SMILES for (5S)-2,2-dimethyl-5-[(R)-naphthalen-2-yl-[4-(trifluoromethyl)phenyl]methyl]oxolane is CC1(C)CC[C@@H]([C@H](c2ccc(C(F)(F)F)cc2)c2ccc3ccccc3c2)O1.
What is the InChIKey of (5S)-2,2-dimethyl-5-[(R)-naphthalen-2-yl-[4-(trifluoromethyl)phenyl]methyl]oxolane?
The InChIKey is PKXPKCTWOUWRQH-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H23F3O/c1-23(2)14-13-21(28-23)22(17-9-11-20(12-10-17)24(25,26)27)19-8-7-16-5-3-4-6-18(16)15-19/h3-12,15,21-22H,13-14H2,1-2H3/t21-,22+/m0/s1.
What are the key properties of (5S)-2,2-dimethyl-5-[(R)-naphthalen-2-yl-[4-(trifluoromethyl)phenyl]methyl]oxolane?
(5S)-2,2-dimethyl-5-[(R)-naphthalen-2-yl-[4-(trifluoromethyl)phenyl]methyl]oxolane has a molecular weight of 384.44 g/mol, XLogP of 6.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2-dimethyl-5-[(R)-naphthalen-2-yl-[4-(trifluoromethyl)phenyl]methyl]oxolane is sourced from PubChem (CID 101497076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).